Ginkgolic acid
TL;DR: Ginkgolic acid (CAS 20261-38-5) is a chemical compound with molecular formula C27H26FNO7 and molecular weight 495.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-8-ol
Also Known As: Ginkgolic acid, KST-1A2541, 5-methoxy-1,3-benzoxazole-2-thiol, (5r,5ar,8as,9s)-9-[(4-fluorophenyl)amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-ol, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6-ol, 9-((4-fluorophenyl)amino)-5,5a,6,8,8a,9-hexahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aS,9S)-
| Molecular Formula | C27H26FNO7 |
|---|---|
| Molecular Weight | 495.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 98.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.16934 |
| Heavy Atoms | 36 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 20261-38-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F |
| InChIKey | MHPBLSKQDOZLPM-BMWDRVKYSA-N |
Product Overview
Ginkgolic acid (CAS 20261-38-5), with molecular formula C27H26FNO7 and molecular weight 495.17 g/mol. IUPAC: (5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-8-ol.
Chemical Property Profile of Ginkgolic acid
Property Insights of Ginkgolic acid
The XLogP value of 4.0 indicates that Ginkgolic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ginkgolic acid. Following Lipinski's Rule of Five, Ginkgolic acid has 3 hydrogen bond donor(s) and 9 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 Ginkgolic acid?
The CAS number of Ginkgolic acid is 20261-38-5.
What is the molecular formula of Ginkgolic acid?
The molecular formula of Ginkgolic acid is C27H26FNO7.
What is the molecular weight of Ginkgolic acid?
The molecular weight of Ginkgolic acid is 495.17 g/mol.
Where can I buy Ginkgolic acid?
You can request a quote for Ginkgolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ginkgolic acid?
Yes, KEHONG BIO provides custom synthesis services for Ginkgolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.