豌豆素
TL;DR: 豌豆素 (CAS 469-01-2) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
豌豆素
(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol
Also Known As: Pisatin, (+)-pisatin, (+)-Pisation, (S,S)-Pisatin, pisatin, (6aR-cis)-
| Molecular Formula | C17H14O6 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.07904 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 469-01-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)[C@@H]3[C@](CO2)(C4=CC5=C(C=C4O3)OCO5)O |
| InChIKey | LZMRDTLRSDRUSU-SJORKVTESA-N |
Product Overview
豌豆素 (CAS 469-01-2), with molecular formula C17H14O6 and molecular weight 314.08 g/mol. IUPAC: (1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol.
Chemical Property Profile of 豌豆素
Property Insights of 豌豆素
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 豌豆素. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 豌豆素. Following Lipinski's Rule of Five, 豌豆素 has 1 hydrogen bond donor(s) and 6 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 豌豆素?
The CAS number of 豌豆素 is 469-01-2.
What is the molecular formula of 豌豆素?
The molecular formula of 豌豆素 is C17H14O6.
What is the molecular weight of 豌豆素?
The molecular weight of 豌豆素 is 314.08 g/mol.
Where can I buy 豌豆素?
You can request a quote for 豌豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 豌豆素?
Yes, KEHONG BIO provides custom synthesis services for 豌豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.