Subcordatolide B
TL;DR: Subcordatolide B (CAS 92609-71-7) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4aR,5R,8aR,9aS)-5-hydroxy-5,8a-dimethyl-3-methylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,8-dione
Also Known As: Subcordatolide B, (3aR,4aR,5R,8aR,9aS)-5-hydroxy-5,8a-dimethyl-3-methylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,8-dione, Naphtho(2,3-b)furan-2,8(3H,4H)-dione, 3a,4a,5,8a,9,9a-hexahydro-5-hydroxy-5,8a-dimethyl-3-methylene-, (3aR,4aR,5R,8aR,9aS)-, Naphtho(2,3-b)furan-2,8(3H,4H)-dione, 3a,4a,5,8a,9,9a-hexahydro-5-hydroxy-5,8a-dimethyl-3-methylene-, (3aR-(3aalpha,4aalpha,5alpha,8abeta,9abeta))-, (3aR)-3aalpha,4aalpha,5,8,9,9abeta-Hexahydro-5alpha-hydroxy-5beta,8abeta-dimethyl-3-methylenenaphtho[2,3-b]furan-2,8(3H,4H)-dione
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 92609-71-7 |
|---|---|
| SMILES | C[C@@]12C[C@H]3[C@H](C[C@H]1[C@](C=CC2=O)(C)O)C(=C)C(=O)O3 |
| InChIKey | SEHWANFWBQNVNV-SPSJUYOASA-N |
Product Overview
Subcordatolide B (CAS 92609-71-7), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: (3aR,4aR,5R,8aR,9aS)-5-hydroxy-5,8a-dimethyl-3-methylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,8-dione.
Chemical Property Profile of Subcordatolide B
Property Insights of Subcordatolide B
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Subcordatolide B. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Subcordatolide B. Following Lipinski's Rule of Five, Subcordatolide B has 1 hydrogen bond donor(s) and 4 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 Subcordatolide B?
The CAS number of Subcordatolide B is 92609-71-7.
What is the molecular formula of Subcordatolide B?
The molecular formula of Subcordatolide B is C15H18O4.
What is the molecular weight of Subcordatolide B?
The molecular weight of Subcordatolide B is 262.12 g/mol.
Where can I buy Subcordatolide B?
You can request a quote for Subcordatolide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Subcordatolide B?
Yes, KEHONG BIO provides custom synthesis services for Subcordatolide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.