丹参素
TL;DR: 丹参素 (CAS 76822-21-4) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丹参素
2-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid
Also Known As: Danshensu, alpha-Dhpla, alpha- lacticacid, 2-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid, alpha-(3,4-Dihydroxyphenyl)lactic acid
| Molecular Formula | C9H10O5 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.05283 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 76822-21-4 |
|---|---|
| SMILES | CC(C1=CC(=C(C=C1)O)O)(C(=O)O)O |
| InChIKey | NDGMYGNFKSMYBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丹参素 (CAS 76822-21-4), with molecular formula C9H10O5 and molecular weight 198.05 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid.
Chemical Property Profile of 丹参素
Property Insights of 丹参素
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丹参素. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丹参素. Following Lipinski's Rule of Five, 丹参素 has 4 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 丹参素?
The CAS number of 丹参素 is 76822-21-4.
What is the molecular formula of 丹参素?
The molecular formula of 丹参素 is C9H10O5.
What is the molecular weight of 丹参素?
The molecular weight of 丹参素 is 198.05 g/mol.
Where can I buy 丹参素?
You can request a quote for 丹参素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丹参素?
Yes, KEHONG BIO provides custom synthesis services for 丹参素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.