Integrastatin B
TL;DR: Integrastatin B (CAS 324519-70-2) is a chemical compound with molecular formula C20H18O9 and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,11,12-trihydroxy-5,13-dimethoxy-1,9-dimethyl-16-oxo-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene-3-carbaldehyde
Also Known As: Integrastatin B, COMPOUND A, J3.529.969F, trihydroxy-dimethoxy-dimethyl-oxo-[?]carbaldehyde, 4,4-dimethyl-2-(1-oxaspiro[2.5]octan-2-yl)-5H-1,3-oxazole
| Molecular Formula | C20H18O9 |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.0951 |
| Heavy Atoms | 29 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 324519-70-2 |
|---|---|
| SMILES | CC12C3=C(C(=C(C=C3C=O)OC)O)OC(O1)(C4=C(C(=C(C=C4C2=O)OC)O)O)C |
| InChIKey | PECRJLBPKXQZDC-UHFFFAOYSA-N |
Product Overview
Integrastatin B (CAS 324519-70-2), with molecular formula C20H18O9 and molecular weight 402.10 g/mol. IUPAC: 6,11,12-trihydroxy-5,13-dimethoxy-1,9-dimethyl-16-oxo-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene-3-carbaldehyde.
Chemical Property Profile of Integrastatin B
Property Insights of Integrastatin B
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Integrastatin B. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Integrastatin B. Following Lipinski's Rule of Five, Integrastatin B 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 Integrastatin B?
The CAS number of Integrastatin B is 324519-70-2.
What is the molecular formula of Integrastatin B?
The molecular formula of Integrastatin B is C20H18O9.
What is the molecular weight of Integrastatin B?
The molecular weight of Integrastatin B is 402.10 g/mol.
Where can I buy Integrastatin B?
You can request a quote for Integrastatin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Integrastatin B?
Yes, KEHONG BIO provides custom synthesis services for Integrastatin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.