Oapoc-bcea
TL;DR: Oapoc-bcea (CAS 90343-98-9) is a chemical compound with molecular formula C47H79Cl2NO4 and molecular weight 791.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-[bis(2-chloroethyl)carbamoyloxy]pentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
Also Known As: Oapoc-bcea, [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-[bis(2-chloroethyl)carbamoyloxy]pentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate, N-(3-(Oleoyloxy)androst-5-en-17-yl(pentyloxycarbonyl))-N-N-bis(2-chloroethyl)amine, Chol-5-ene-3,24-diol, 24-(bis(2-chloroethyl)carbamate) 3-(9-octadecenoate), (3beta(Z))-, RefChem:161903
| Molecular Formula | C47H79Cl2NO4 |
|---|---|
| Molecular Weight | 791.54 g/mol |
| LogP | 13.8472 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 791.53864 |
| Heavy Atoms | 54 |
| Complexity | 1168.3788 |
Chemical Identifiers
| CAS Number | 90343-98-9 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCOC(=O)N(CCCl)CCCl)C)C |
Product Overview
Oapoc-bcea (CAS 90343-98-9), with molecular formula C47H79Cl2NO4 and molecular weight 791.54 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-[bis(2-chloroethyl)carbamoyloxy]pentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate.
Chemical Property Profile of Oapoc-bcea
Property Insights of Oapoc-bcea
The XLogP value of 13.8472 indicates that Oapoc-bcea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, Oapoc-bcea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oapoc-bcea has 0 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 Oapoc-bcea?
The CAS number of Oapoc-bcea is 90343-98-9.
What is the molecular formula of Oapoc-bcea?
The molecular formula of Oapoc-bcea is C47H79Cl2NO4.
What is the molecular weight of Oapoc-bcea?
The molecular weight of Oapoc-bcea is 791.54 g/mol.
Where can I buy Oapoc-bcea?
You can request a quote for Oapoc-bcea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oapoc-bcea?
Yes, KEHONG BIO provides custom synthesis services for Oapoc-bcea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.