2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid
TL;DR: 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid (CAS 67688-64-6) is a chemical compound with molecular formula C16H23NO3S and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-5-benzylsulfanyl-5-methylhexanoic acid
Also Known As: 2-acetamido-5-benzylsulfanyl-5-methylhexanoic acid, (2S)-2-acetamido-5-benzylsulfanyl-5-methylhexanoic acid
| Molecular Formula | C16H23NO3S |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.13986 |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 67688-64-6 |
|---|---|
| SMILES | CC(=O)NC(CCC(C)(C)SCC1=CC=CC=C1)C(=O)O |
| InChIKey | MDOSBVCCUJMLFT-UHFFFAOYSA-N |
Product Overview
2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid (CAS 67688-64-6), with molecular formula C16H23NO3S and molecular weight 309.14 g/mol. IUPAC: 2-acetamido-5-benzylsulfanyl-5-methylhexanoic acid.
Chemical Property Profile of 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid
Property Insights of 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid. Following Lipinski's Rule of Five, 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid has 2 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 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid?
The CAS number of 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid is 67688-64-6.
What is the molecular formula of 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid?
The molecular formula of 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid is C16H23NO3S.
What is the molecular weight of 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid?
The molecular weight of 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid is 309.14 g/mol.
Where can I buy 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid?
You can request a quote for 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamido-5-benzylsulfanyl-5-methylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.