Glyceollin Ii
TL;DR: Glyceollin Ii (CAS 67314-98-1) is a chemical compound with molecular formula C20H18O5 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-6,10-diol
Also Known As: glyceollin II, (-)-Glyceollin II, 3H,7H-Benzofuro(3,2-c)pyrano(3,2-g)(1)benzopyran-7a,10(12ah)-diol, 3,3-dimethyl-, (7as-cis)-, 3H,7H-Benzofuro(3,2-c)pyrano(3,2-g)(1)benzopyran-7a,10(12ah)-diol, 3,3-dimethyl-, (7as,12aS)-, (2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-6,10-diol
| Molecular Formula | C20H18O5 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 338.11542 |
| Heavy Atoms | 25 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 67314-98-1 |
|---|---|
| SMILES | CC1(C=CC2=CC3=C(C=C2O1)OC[C@@]4([C@H]3OC5=C4C=CC(=C5)O)O)C |
| InChIKey | DDJVLBCETGUEBO-AZUAARDMSA-N |
Product Overview
Glyceollin Ii (CAS 67314-98-1), with molecular formula C20H18O5 and molecular weight 338.12 g/mol. IUPAC: (2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-6,10-diol.
Chemical Property Profile of Glyceollin Ii
Property Insights of Glyceollin Ii
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glyceollin Ii. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Glyceollin Ii. Following Lipinski's Rule of Five, Glyceollin Ii has 2 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 Glyceollin Ii?
The CAS number of Glyceollin Ii is 67314-98-1.
What is the molecular formula of Glyceollin Ii?
The molecular formula of Glyceollin Ii is C20H18O5.
What is the molecular weight of Glyceollin Ii?
The molecular weight of Glyceollin Ii is 338.12 g/mol.
Where can I buy Glyceollin Ii?
You can request a quote for Glyceollin Ii directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glyceollin Ii?
Yes, KEHONG BIO provides custom synthesis services for Glyceollin Ii and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.