PIPTOCARPHIN A
TL;DR: PIPTOCARPHIN A (CAS 76248-63-0) is a chemical compound with molecular formula C21H26O9 and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
Also Known As: PIPTOCARPHIN A, 13-O-Acetylpiptocarphin C, (2E)-6-[(ACETYLOXY)METHYL]-10,11-DIHYDROXY-1,10-DIMETHYL-5-OXO-4,14-DIOXATRICYCLO[9.2.1.0(3),?]TETRADECA-2,6-DIEN-8-YL 2-METHYLPROP-2-ENOATE, [(1S,2E,8R,10R,11R)-6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
| Molecular Formula | C21H26O9 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.15768 |
| Heavy Atoms | 30 |
| Complexity | 885.0 |
Chemical Identifiers
| CAS Number | 76248-63-0 |
|---|---|
| SMILES | CC(=C)C(=O)OC1CC(C2(CCC(O2)(C=C3C1=C(C(=O)O3)COC(=O)C)C)O)(C)O |
| InChIKey | BZQDHZDSIXPDSS-UHFFFAOYSA-N |
Product Overview
PIPTOCARPHIN A (CAS 76248-63-0), with molecular formula C21H26O9 and molecular weight 422.16 g/mol. IUPAC: [6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate.
Chemical Property Profile of PIPTOCARPHIN A
Property Insights of PIPTOCARPHIN A
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PIPTOCARPHIN A. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PIPTOCARPHIN A. Following Lipinski's Rule of Five, PIPTOCARPHIN A has 2 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 PIPTOCARPHIN A?
The CAS number of PIPTOCARPHIN A is 76248-63-0.
What is the molecular formula of PIPTOCARPHIN A?
The molecular formula of PIPTOCARPHIN A is C21H26O9.
What is the molecular weight of PIPTOCARPHIN A?
The molecular weight of PIPTOCARPHIN A is 422.16 g/mol.
Where can I buy PIPTOCARPHIN A?
You can request a quote for PIPTOCARPHIN A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PIPTOCARPHIN A?
Yes, KEHONG BIO provides custom synthesis services for PIPTOCARPHIN A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.