alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide
TL;DR: alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide (CAS 81253-96-5) is a chemical compound with molecular formula C46H60Br2N6O6 and molecular weight 950.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-2-[13-[1-(1-adamantylamino)-6-amino-1-oxohexan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-6-aminohexanamide;dihydrobromide
Also Known As: alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide, Benzo(lmn)(3,8)phenanthroline-2,7-diacetamide, alpha,alpha'-bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)-, dihydrobromide
| Molecular Formula | C46H60Br2N6O6 |
|---|---|
| Molecular Weight | 950.29 g/mol |
| LogP | 6.3528 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 950.2941 |
| Heavy Atoms | 60 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 81253-96-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)C(CCCCN)N4C(=O)C5=C6C(=CC=C7C6=C(C=C5)C(=O)N(C7=O)C(CCCCN)C(=O)NC89CC1CC(C8)CC(C1)C9)C4=O.Br.Br |
| InChIKey | VQYYJPIYZZQLIB-UHFFFAOYSA-N |
Product Overview
alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide (CAS 81253-96-5), with molecular formula C46H60Br2N6O6 and molecular weight 950.29 g/mol. IUPAC: N-(1-adamantyl)-2-[13-[1-(1-adamantylamino)-6-amino-1-oxohexan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-6-aminohexanamide;dihydrobromide.
Chemical Property Profile of alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide
Property Insights of alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide
The XLogP value of 6.3528 indicates that alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide?
The CAS number of alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide is 81253-96-5.
What is the molecular formula of alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide?
The molecular formula of alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide is C46H60Br2N6O6.
What is the molecular weight of alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide?
The molecular weight of alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide is 950.29 g/mol.
Where can I buy alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide?
You can request a quote for alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)benzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.