1-Pbcoo
TL;DR: 1-Pbcoo (CAS 72535-39-8) is a chemical compound with molecular formula C57H76O4 and molecular weight 824.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-oxo-1-(pyren-1-ylmethoxy)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
Also Known As: 1-Pbcoo, 1-Pyrenemethyl-23,24-bisnor-5-cholen-22-oate-3beta-yl oleate, [(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-oxo-1-(pyren-1-ylmethoxy)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate, 1-pyrenemethyl-23,24-bisnor-5-cholen-22-oate-3 beta-yl oleate, Pregn-5-ene-20-carboxylic acid, 3-((1-oxo-9-octadecenyl)oxy)-, 1-pyrenylmethyl ester, (3beta(Z),20S)-
| Molecular Formula | C57H76O4 |
|---|---|
| Molecular Weight | 824.57 g/mol |
| LogP | 15.7916 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 824.57434 |
| Heavy Atoms | 61 |
| Complexity | 2145.1082 |
Chemical Identifiers
| CAS Number | 72535-39-8 |
|---|---|
| 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)C(=O)OCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C)C |
Product Overview
1-Pbcoo (CAS 72535-39-8), with molecular formula C57H76O4 and molecular weight 824.57 g/mol. IUPAC: [(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-oxo-1-(pyren-1-ylmethoxy)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate.
Chemical Property Profile of 1-Pbcoo
Property Insights of 1-Pbcoo
The XLogP value of 15.7916 indicates that 1-Pbcoo is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Pbcoo exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pbcoo 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 1-Pbcoo?
The CAS number of 1-Pbcoo is 72535-39-8.
What is the molecular formula of 1-Pbcoo?
The molecular formula of 1-Pbcoo is C57H76O4.
What is the molecular weight of 1-Pbcoo?
The molecular weight of 1-Pbcoo is 824.57 g/mol.
Where can I buy 1-Pbcoo?
You can request a quote for 1-Pbcoo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pbcoo?
Yes, KEHONG BIO provides custom synthesis services for 1-Pbcoo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.