2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid
TL;DR: 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid (CAS 6297-55-8) is a chemical compound with molecular formula C12H17NO4S2 and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfonylamino)-4-methylsulfanylbutanoic acid
Also Known As: 2-(benzylsulfonylamino)-4-methylsulfanylbutanoic acid, 2-[(BENZYLSULFONYL)AMINO]-4-(METHYLTHIO)BUTANOIC ACID
| Molecular Formula | C12H17NO4S2 |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 303.0599 |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 6297-55-8 |
|---|---|
| SMILES | CSCCC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1 |
| InChIKey | LQNRCCPDNDTDSZ-UHFFFAOYSA-N |
Product Overview
2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid (CAS 6297-55-8), with molecular formula C12H17NO4S2 and molecular weight 303.06 g/mol. IUPAC: 2-(benzylsulfonylamino)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid
Property Insights of 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid. Following Lipinski's Rule of Five, 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid has 2 hydrogen bond donor(s) and 6 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-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid?
The CAS number of 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid is 6297-55-8.
What is the molecular formula of 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid?
The molecular formula of 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid is C12H17NO4S2.
What is the molecular weight of 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid?
The molecular weight of 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid is 303.06 g/mol.
Where can I buy 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid?
You can request a quote for 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfonylamino)-4-methylsulfanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.