Integrastatin A
TL;DR: Integrastatin A (CAS 324518-10-7) is a chemical compound with molecular formula C20H20O9 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,11,12-trihydroxy-3-(hydroxymethyl)-5,13-dimethoxy-1,9-dimethyl-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-16-one
Also Known As: Integrastatin A, Compound B, trihydroxy-(hydroxymethyl)-dimethoxy-dimethyl-[?]one, 6,11,12-trihydroxy-3-(hydroxymethyl)-5,13-dimethoxy-1,9-dimethyl-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-16-one, 4,7,8-trihydroxy-1-(hydroxymethyl)-3,9-dimethoxy-6,12-dimethyl-6H-6,12-epoxydibenzo[b,f]oxocin-11(12H)-one
| Molecular Formula | C20H20O9 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.11072 |
| Heavy Atoms | 29 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 324518-10-7 |
|---|---|
| SMILES | CC12C3=C(C(=C(C=C3CO)OC)O)OC(O1)(C4=C(C(=C(C=C4C2=O)OC)O)O)C |
| InChIKey | LNYIJBSSELCSKA-UHFFFAOYSA-N |
Product Overview
Integrastatin A (CAS 324518-10-7), with molecular formula C20H20O9 and molecular weight 404.11 g/mol. IUPAC: 6,11,12-trihydroxy-3-(hydroxymethyl)-5,13-dimethoxy-1,9-dimethyl-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-16-one.
Chemical Property Profile of Integrastatin A
Property Insights of Integrastatin A
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Integrastatin A. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Integrastatin A. Following Lipinski's Rule of Five, Integrastatin A has 4 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 Integrastatin A?
The CAS number of Integrastatin A is 324518-10-7.
What is the molecular formula of Integrastatin A?
The molecular formula of Integrastatin A is C20H20O9.
What is the molecular weight of Integrastatin A?
The molecular weight of Integrastatin A is 404.11 g/mol.
Where can I buy Integrastatin A?
You can request a quote for Integrastatin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Integrastatin A?
Yes, KEHONG BIO provides custom synthesis services for Integrastatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.