N-Isobutyrylcysteine
TL;DR: N-Isobutyrylcysteine (CAS 124529-03-9) is a chemical compound with molecular formula C7H13NO3S and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-(2-methylpropanoylamino)-3-sulfanylpropanoic acid
Also Known As: N-Isobutyryl-L-cysteine, N-Isobutyrylcysteine, I-But-Cys-OH, L-Cysteine, N-(2-methyl-1-oxopropyl)-, N-(2-Methylpropionyl)-L-cysteine
| Molecular Formula | C7H13NO3S |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.06161 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 124529-03-9 |
|---|---|
| SMILES | CC(C)C(=O)N[C@@H](CS)C(=O)O |
| InChIKey | BWBQXMAXLAHHTK-YFKPBYRVSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Isobutyrylcysteine (CAS 124529-03-9), with molecular formula C7H13NO3S and molecular weight 191.06 g/mol. IUPAC: (2R)-2-(2-methylpropanoylamino)-3-sulfanylpropanoic acid.
Chemical Property Profile of N-Isobutyrylcysteine
Property Insights of N-Isobutyrylcysteine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isobutyrylcysteine. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Isobutyrylcysteine. Following Lipinski's Rule of Five, N-Isobutyrylcysteine 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 N-Isobutyrylcysteine?
The CAS number of N-Isobutyrylcysteine is 124529-03-9.
What is the molecular formula of N-Isobutyrylcysteine?
The molecular formula of N-Isobutyrylcysteine is C7H13NO3S.
What is the molecular weight of N-Isobutyrylcysteine?
The molecular weight of N-Isobutyrylcysteine is 191.06 g/mol.
Where can I buy N-Isobutyrylcysteine?
You can request a quote for N-Isobutyrylcysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isobutyrylcysteine?
Yes, KEHONG BIO provides custom synthesis services for N-Isobutyrylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.