alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide
TL;DR: alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide (CAS 81253-97-6) is a chemical compound with molecular formula C26H32Br2N6O6 and molecular weight 682.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-[13-(1,6-diamino-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]hexanamide;dihydrobromide
Also Known As: alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo(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-, dihydrobromide, 2,2'-(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)bis(6-aminohexanimidic acid)--hydrogen bromide (1/2)
| Molecular Formula | C26H32Br2N6O6 |
|---|---|
| Molecular Weight | 682.08 g/mol |
| LogP | 1.1534 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 682.075 |
| Heavy Atoms | 40 |
| Complexity | 877.0 |
Chemical Identifiers
| CAS Number | 81253-97-6 |
|---|---|
| SMILES | C1=CC2=C3C(=CC=C4C3=C1C(=O)N(C4=O)C(CCCCN)C(=O)N)C(=O)N(C2=O)C(CCCCN)C(=O)N.Br.Br |
| InChIKey | ZNRDMYOPWQRAFX-UHFFFAOYSA-N |
Product Overview
alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide (CAS 81253-97-6), with molecular formula C26H32Br2N6O6 and molecular weight 682.08 g/mol. IUPAC: 6-amino-2-[13-(1,6-diamino-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]hexanamide;dihydrobromide.
Chemical Property Profile of alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo(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-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide
The XLogP value of 1.1534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide. The TPSA of 213.0 Ų indicates high polarity, suggesting alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo(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-tetraoxobenzo(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-tetraoxobenzo(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-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide is 81253-97-6.
What is the molecular formula of alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo(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-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide is C26H32Br2N6O6.
What is the molecular weight of alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo(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-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide is 682.08 g/mol.
Where can I buy alpha,alpha'-Bis(4-aminobutyl)-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo(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-tetraoxobenzo(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-tetraoxobenzo(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-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-diacetamide dihydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.