RefChem:365406
TL;DR: RefChem:365406 (CAS 82025-93-2) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aS,9S,9aS,9bR)-3-hydroxy-5a,9-dimethyl-5,6,7,9,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-2,8-dione
Also Known As: Naphtho(1,2-b)furan-2,8(4H,9H)-dione, 5,5a,6,7,9a,9b-hexahydro-3-hydroxy-5a,9-dimethyl-, (5aS-(5aalpha,9beta,9abeta,9balpha))-, (5aS,9S,9aS,9bR)-3-hydroxy-5a,9-dimethyl-5,6,7,9,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-2,8-dione, 3-Hydroxy-5a,9-dimethyl-5,5a,6,7,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(4H,9H)-dione, (5aS,9S,9aS,9bR)-3-Hydroxy-5a,9-dimethyl-5,5a,6,7,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(4H,9H)-dione, (5aS,9S,9aS,9bR)-3-hydroxy-5a,9-dimethyl-5,6,7,9,9a,9b-hexahydro-4H-benzo(g)(1)benzofuran-2,8-dione
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 82025-93-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]2[C@@H]3C(=C(C(=O)O3)O)CC[C@]2(CCC1=O)C |
| InChIKey | QBIDRAVBRAKKGR-KGGBIUIESA-N |
Product Overview
RefChem:365406 (CAS 82025-93-2), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: (5aS,9S,9aS,9bR)-3-hydroxy-5a,9-dimethyl-5,6,7,9,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-2,8-dione.
Chemical Property Profile of RefChem:365406
Property Insights of RefChem:365406
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:365406. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:365406. Following Lipinski's Rule of Five, RefChem:365406 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 RefChem:365406?
The CAS number of RefChem:365406 is 82025-93-2.
What is the molecular formula of RefChem:365406?
The molecular formula of RefChem:365406 is C14H18O4.
What is the molecular weight of RefChem:365406?
The molecular weight of RefChem:365406 is 250.12 g/mol.
Where can I buy RefChem:365406?
You can request a quote for RefChem:365406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:365406?
Yes, KEHONG BIO provides custom synthesis services for RefChem:365406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.