矮牵牛素
TL;DR: 矮牵牛素 (CAS 1429-30-7) is a chemical compound with molecular formula C16H13ClO7 and molecular weight 352.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
矮牵牛素
2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol chloride
Also Known As: Petunidin chloride, Petunidin, Petunidol, Petunidol chloride, Petunidin (chloride)
| Molecular Formula | C16H13ClO7 |
|---|---|
| Molecular Weight | 352.03 g/mol |
| LogP | -0.08 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.03497 |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 1429-30-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-] |
| InChIKey | QULMBDNPZCFSPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
矮牵牛素 (CAS 1429-30-7), with molecular formula C16H13ClO7 and molecular weight 352.03 g/mol. IUPAC: 2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol chloride.
Chemical Property Profile of 矮牵牛素
Property Insights of 矮牵牛素
The XLogP value of -0.08 indicates that 矮牵牛素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 矮牵牛素. Following Lipinski's Rule of Five, 矮牵牛素 has 5 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 矮牵牛素?
The CAS number of 矮牵牛素 is 1429-30-7.
What is the molecular formula of 矮牵牛素?
The molecular formula of 矮牵牛素 is C16H13ClO7.
What is the molecular weight of 矮牵牛素?
The molecular weight of 矮牵牛素 is 352.03 g/mol.
Where can I buy 矮牵牛素?
You can request a quote for 矮牵牛素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 矮牵牛素?
Yes, KEHONG BIO provides custom synthesis services for 矮牵牛素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.