苜蓿紫檀素
TL;DR: 苜蓿紫檀素 (CAS 33983-40-3) is a chemical compound with molecular formula C15H14O2S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苜蓿紫檀素
2-benzylsulfanyl-2-phenylacetic acid
Also Known As: (benzylsulfanyl)(phenyl)acetic acid, 2-benzylsulfanyl-2-phenylacetic acid, benzylsulfanyl-phenyl-acetic acid, 2-benzylsulfanyl-2-phenyl-acetic acid, KST-1A3958
| Molecular Formula | C15H14O2S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.07144 |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 33983-40-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(C2=CC=CC=C2)C(=O)O |
| InChIKey | CCMOFMGHPPQGJB-UHFFFAOYSA-N |
Product Overview
苜蓿紫檀素 (CAS 33983-40-3), with molecular formula C15H14O2S and molecular weight 258.07 g/mol. IUPAC: 2-benzylsulfanyl-2-phenylacetic acid.
Chemical Property Profile of 苜蓿紫檀素
Property Insights of 苜蓿紫檀素
The XLogP value of 3.7 indicates that 苜蓿紫檀素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 苜蓿紫檀素. Following Lipinski's Rule of Five, 苜蓿紫檀素 has 1 hydrogen bond donor(s) and 3 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 苜蓿紫檀素?
The CAS number of 苜蓿紫檀素 is 33983-40-3.
What is the molecular formula of 苜蓿紫檀素?
The molecular formula of 苜蓿紫檀素 is C15H14O2S.
What is the molecular weight of 苜蓿紫檀素?
The molecular weight of 苜蓿紫檀素 is 258.07 g/mol.
Where can I buy 苜蓿紫檀素?
You can request a quote for 苜蓿紫檀素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苜蓿紫檀素?
Yes, KEHONG BIO provides custom synthesis services for 苜蓿紫檀素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.