山莨菪酸
TL;DR: 山莨菪酸 (CAS 92198-63-5) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
山莨菪酸
(2S)-2,3-dihydroxy-2-phenylpropanoic acid
Also Known As: Anisodinic acid, KST-1A8918, (2s)-2,3-dihydroxy-2-phenylpropanoic acid, Benzeneacetic acid, alpha-hydroxy-alpha-(hydroxymethyl)-, (S)-
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 92198-63-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@](CO)(C(=O)O)O |
| InChIKey | IWEPXSFVSUOTLW-SECBINFHSA-N |
Product Overview
山莨菪酸 (CAS 92198-63-5), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: (2S)-2,3-dihydroxy-2-phenylpropanoic acid.
Chemical Property Profile of 山莨菪酸
Property Insights of 山莨菪酸
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 山莨菪酸. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 山莨菪酸. Following Lipinski's Rule of Five, 山莨菪酸 has 3 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 山莨菪酸?
The CAS number of 山莨菪酸 is 92198-63-5.
What is the molecular formula of 山莨菪酸?
The molecular formula of 山莨菪酸 is C9H10O4.
What is the molecular weight of 山莨菪酸?
The molecular weight of 山莨菪酸 is 182.06 g/mol.
Where can I buy 山莨菪酸?
You can request a quote for 山莨菪酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山莨菪酸?
Yes, KEHONG BIO provides custom synthesis services for 山莨菪酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.