RefChem:1054813
TL;DR: RefChem:1054813 (CAS 1630-89-3) is a chemical compound with molecular formula C33H35NO5 and molecular weight 525.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5S)-8-benzyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane;(Z)-but-2-enedioic acid
Also Known As: 8-Benzyl-3-alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)nortropane maleate, 1-alpha-H,5-alpha-H-Nortropane, 8-benzyl-3-alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-, maleate (1:1), RefChem:1054813
| Molecular Formula | C33H35NO5 |
|---|---|
| Molecular Weight | 525.25 g/mol |
| LogP | 5.7986 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 525.2515 |
| Heavy Atoms | 39 |
| Complexity | 1242.9343 |
Chemical Identifiers
| CAS Number | 1630-89-3 |
|---|---|
| SMILES | C1C[C@H]2CC(C[C@@H]1N2CC3=CC=CC=C3)OC4C5=CC=CC=C5CCC6=CC=CC=C46.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1054813 (CAS 1630-89-3), with molecular formula C33H35NO5 and molecular weight 525.25 g/mol. IUPAC: (1R,5S)-8-benzyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane;(Z)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1054813
Property Insights of RefChem:1054813
The XLogP value of 5.7986 indicates that RefChem:1054813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054813. Following Lipinski's Rule of Five, RefChem:1054813 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1054813?
The CAS number of RefChem:1054813 is 1630-89-3.
What is the molecular formula of RefChem:1054813?
The molecular formula of RefChem:1054813 is C33H35NO5.
What is the molecular weight of RefChem:1054813?
The molecular weight of RefChem:1054813 is 525.25 g/mol.
Where can I buy RefChem:1054813?
You can request a quote for RefChem:1054813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054813?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.