3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid
TL;DR: 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid (CAS 268219-99-4) is a chemical compound with molecular formula C13H18O3S and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoic acid
Also Known As: 3-(4-METHOXY-BENZYLSULFANYL)-3-METHYL-BUTYRIC ACID, 5197AH, S-(4-METHOXYBENZYL)-DEAMINO-PENICILLAMINE, b-S-(4-Methoxybenzylmercapto)isovaleric acid, beta-S-(4-Methoxybenzylmercapto)isovaleric acid
| Molecular Formula | C13H18O3S |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | 3.1817 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.09767 |
| Heavy Atoms | 17 |
| Complexity | 370.7559 |
Chemical Identifiers
| CAS Number | 268219-99-4 |
|---|---|
| SMILES | CC(C)(CC(=O)O)SCC1=CC=C(C=C1)OC |
Product Overview
3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid (CAS 268219-99-4), with molecular formula C13H18O3S and molecular weight 254.10 g/mol. IUPAC: 3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoic acid.
Chemical Property Profile of 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid
Property Insights of 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid
The XLogP value of 3.1817 indicates that 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid 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 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid?
The CAS number of 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid is 268219-99-4.
What is the molecular formula of 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid?
The molecular formula of 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid is C13H18O3S.
What is the molecular weight of 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid?
The molecular weight of 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid is 254.10 g/mol.
Where can I buy 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid?
You can request a quote for 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.