Cristacarpin
TL;DR: Cristacarpin (CAS 78065-40-4) is a chemical compound with molecular formula C21H22O5 and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
Also Known As: Cristacarpin, Erythrabyssin I, Erythrabissin I, Crystacarpin, 6alpha-Hydroxyphaseollidin
| Molecular Formula | C21H22O5 |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.14673 |
| Heavy Atoms | 26 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 78065-40-4 |
|---|---|
| SMILES | CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@]2(COC4=C3C=CC(=C4)O)O)OC)C |
| InChIKey | ZHPYEBFYLDGZKF-LEWJYISDSA-N |
Product Overview
Cristacarpin (CAS 78065-40-4), with molecular formula C21H22O5 and molecular weight 354.15 g/mol. IUPAC: (6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol.
Chemical Property Profile of Cristacarpin
Property Insights of Cristacarpin
The XLogP value of 3.5 indicates that Cristacarpin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Cristacarpin. Following Lipinski's Rule of Five, Cristacarpin has 2 hydrogen bond donor(s) and 5 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 Cristacarpin?
The CAS number of Cristacarpin is 78065-40-4.
What is the molecular formula of Cristacarpin?
The molecular formula of Cristacarpin is C21H22O5.
What is the molecular weight of Cristacarpin?
The molecular weight of Cristacarpin is 354.15 g/mol.
Where can I buy Cristacarpin?
You can request a quote for Cristacarpin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cristacarpin?
Yes, KEHONG BIO provides custom synthesis services for Cristacarpin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.