山莴苣苦素
TL;DR: 山莴苣苦素 (CAS 65725-11-3) is a chemical compound with molecular formula C23H22O7 and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
山莴苣苦素
[(3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate
Also Known As: Lactucopicrin, Intybin, Lactupicrin, LCTP, Lactucopicrin (Intybin)
| Molecular Formula | C23H22O7 |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.13657 |
| Heavy Atoms | 30 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 65725-11-3 |
|---|---|
| SMILES | CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)O)C(=C)C(=O)O3)C(=CC2=O)COC(=O)CC4=CC=C(C=C4)O |
| InChIKey | QCDLLIUTDGNCPO-AEMJNJESSA-N |
Product Overview
山莴苣苦素 (CAS 65725-11-3), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: [(3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate.
Chemical Property Profile of 山莴苣苦素
Property Insights of 山莴苣苦素
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 山莴苣苦素. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 山莴苣苦素. Following Lipinski's Rule of Five, 山莴苣苦素 has 2 hydrogen bond donor(s) and 7 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 山莴苣苦素?
The CAS number of 山莴苣苦素 is 65725-11-3.
What is the molecular formula of 山莴苣苦素?
The molecular formula of 山莴苣苦素 is C23H22O7.
What is the molecular weight of 山莴苣苦素?
The molecular weight of 山莴苣苦素 is 410.14 g/mol.
Where can I buy 山莴苣苦素?
You can request a quote for 山莴苣苦素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山莴苣苦素?
Yes, KEHONG BIO provides custom synthesis services for 山莴苣苦素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.