OSW 1
TL;DR: OSW 1 (CAS 145075-81-6) is a chemical compound with molecular formula C47H68O15 and molecular weight 872.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-2-[[(3R,8S,9R,10R,13S,14R,16R,17S)-3,17-dihydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 4-methoxybenzoate
Also Known As: OSW 1, [(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-2-[[(3R,8S,9R,10R,13S,14R,16R,17S)-3,17-dihydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 4-methoxybenzoate, 3,16,17-Trihydroxycholest-5-en-22-one 16-O-(2-O-4-methoxybenzoylxylopyranosyl)-1-3-(2-O-acetylarabinopyranoside), Cholest-5-en-22-one, 16-((2-O-acetyl-3-O-(2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl)-alpha-L-arabinopyranosyl)oxy)-3,17-dihydroxy-, (3beta,16beta)-
| Molecular Formula | C47H68O15 |
|---|---|
| Molecular Weight | 872.46 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 872.4558 |
| Heavy Atoms | 62 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 145075-81-6 |
|---|---|
| SMILES | C[C@H](C(=O)CCC(C)C)[C@]1([C@@H](C[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@H](C4)O)C)C)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)C)O |
| InChIKey | MPXTYZZFIJTPPA-JOQRFCRPSA-N |
Product Overview
OSW 1 (CAS 145075-81-6), with molecular formula C47H68O15 and molecular weight 872.46 g/mol. IUPAC: [(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-2-[[(3R,8S,9R,10R,13S,14R,16R,17S)-3,17-dihydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 4-methoxybenzoate.
Chemical Property Profile of OSW 1
Property Insights of OSW 1
The XLogP value of 4.3 indicates that OSW 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.0 Ų indicates high polarity, suggesting OSW 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, OSW 1 has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of OSW 1?
The CAS number of OSW 1 is 145075-81-6.
What is the molecular formula of OSW 1?
The molecular formula of OSW 1 is C47H68O15.
What is the molecular weight of OSW 1?
The molecular weight of OSW 1 is 872.46 g/mol.
Where can I buy OSW 1?
You can request a quote for OSW 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for OSW 1?
Yes, KEHONG BIO provides custom synthesis services for OSW 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.