大叶茜草素
TL;DR: 大叶茜草素 (CAS 375363-54-5) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大叶茜草素
methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
Also Known As: Mollugin, Rubimaillin, Swertiamarine, Rubimailin, Mollugin?
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 375363-54-5 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C |
| InChIKey | VLGATXOTCNBWIT-UHFFFAOYSA-N |
Product Overview
大叶茜草素 (CAS 375363-54-5), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate.
Chemical Property Profile of 大叶茜草素
Property Insights of 大叶茜草素
The XLogP value of 4.1 indicates that 大叶茜草素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 大叶茜草素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 大叶茜草素 has 1 hydrogen bond donor(s) and 4 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 大叶茜草素?
The CAS number of 大叶茜草素 is 375363-54-5.
What is the molecular formula of 大叶茜草素?
The molecular formula of 大叶茜草素 is C17H16O4.
What is the molecular weight of 大叶茜草素?
The molecular weight of 大叶茜草素 is 284.10 g/mol.
Where can I buy 大叶茜草素?
You can request a quote for 大叶茜草素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 大叶茜草素?
Yes, KEHONG BIO provides custom synthesis services for 大叶茜草素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.