Excoecarin C
TL;DR: Excoecarin C (CAS 183957-04-2) is a chemical compound with molecular formula C20H34O3 and molecular weight 322.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol
Also Known As: Excoecarin C, (3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol, 3,4a,7,7,10a-Pentamethyl-3-(oxiran-2-yl)dodecahydro-1H-naphtho[2,1-b]pyran-8-ol, (3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-Pentamethyl-3-[(2S)-oxiran-2-yl]dodecahydro-1H-naphtho[2,1-b]pyran-8-ol
| Molecular Formula | C20H34O3 |
|---|---|
| Molecular Weight | 322.25 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.2508 |
| Heavy Atoms | 23 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 183957-04-2 |
|---|---|
| SMILES | C[C@@]12CCC(C([C@H]1CC[C@]3([C@H]2CC[C@](O3)(C)[C@@H]4CO4)C)(C)C)O |
| InChIKey | PTHZRTUJGFIYPR-URUVSLSHSA-N |
Product Overview
Excoecarin C (CAS 183957-04-2), with molecular formula C20H34O3 and molecular weight 322.25 g/mol. IUPAC: (3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol.
Chemical Property Profile of Excoecarin C
Property Insights of Excoecarin C
The XLogP value of 3.5 indicates that Excoecarin C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, Excoecarin C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Excoecarin C has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Excoecarin C?
The CAS number of Excoecarin C is 183957-04-2.
What is the molecular formula of Excoecarin C?
The molecular formula of Excoecarin C is C20H34O3.
What is the molecular weight of Excoecarin C?
The molecular weight of Excoecarin C is 322.25 g/mol.
Where can I buy Excoecarin C?
You can request a quote for Excoecarin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Excoecarin C?
Yes, KEHONG BIO provides custom synthesis services for Excoecarin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.