Chlorohyssopifolin B
TL;DR: Chlorohyssopifolin B (CAS 4775-93-3) is a chemical compound with molecular formula C15H19ClO5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Also Known As: Chlorohyssopifolin B, KST-1A4975, (3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one, (3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidenedecahydroazuleno[4,5-b]furan-2(3h)-one, Azuleno[4,5-b]furan-2(3H)-one,9-(chloromethyl)decahydro-4,8,9-trihydroxy-3,6-bis(methylene)-,(3aR,4S,6aR,8S,9S,9aS,9bS)-
| Molecular Formula | C15H19ClO5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.0921 |
| Heavy Atoms | 21 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 4775-93-3 |
|---|---|
| SMILES | C=C1C[C@@H]([C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H]([C@@]3(CCl)O)O)OC(=O)C2=C)O |
| InChIKey | YIFQICREHIVCKL-YWDFAVMRSA-N |
Product Overview
Chlorohyssopifolin B (CAS 4775-93-3), with molecular formula C15H19ClO5 and molecular weight 314.09 g/mol. IUPAC: (3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one.
Chemical Property Profile of Chlorohyssopifolin B
Property Insights of Chlorohyssopifolin B
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorohyssopifolin B. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorohyssopifolin B. Following Lipinski's Rule of Five, Chlorohyssopifolin B has 3 hydrogen bond donor(s) and 5 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 Chlorohyssopifolin B?
The CAS number of Chlorohyssopifolin B is 4775-93-3.
What is the molecular formula of Chlorohyssopifolin B?
The molecular formula of Chlorohyssopifolin B is C15H19ClO5.
What is the molecular weight of Chlorohyssopifolin B?
The molecular weight of Chlorohyssopifolin B is 314.09 g/mol.
Where can I buy Chlorohyssopifolin B?
You can request a quote for Chlorohyssopifolin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorohyssopifolin B?
Yes, KEHONG BIO provides custom synthesis services for Chlorohyssopifolin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.