S-(Difluoromethyl)homocysteine
TL;DR: S-(Difluoromethyl)homocysteine (CAS 130288-31-2) is a chemical compound with molecular formula C5H9F2NO2S and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(difluoromethylsulfanyl)butanoic acid
Also Known As: L-difluoromethylhomocysteine, S-(Difluoromethyl)homocysteine, 6,6-difluoromethionine, DIFLUOROMETHIONINE, NCI60_006938
| Molecular Formula | C5H9F2NO2S |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 185.03221 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 130288-31-2 |
|---|---|
| SMILES | C(CSC(F)F)C(C(=O)O)N |
| InChIKey | YHBNXKYHZMAFED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(Difluoromethyl)homocysteine (CAS 130288-31-2), with molecular formula C5H9F2NO2S and molecular weight 185.03 g/mol. IUPAC: 2-amino-4-(difluoromethylsulfanyl)butanoic acid.
Chemical Property Profile of S-(Difluoromethyl)homocysteine
Property Insights of S-(Difluoromethyl)homocysteine
The XLogP value of -0.9 indicates that S-(Difluoromethyl)homocysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(Difluoromethyl)homocysteine. Following Lipinski's Rule of Five, S-(Difluoromethyl)homocysteine 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 S-(Difluoromethyl)homocysteine?
The CAS number of S-(Difluoromethyl)homocysteine is 130288-31-2.
What is the molecular formula of S-(Difluoromethyl)homocysteine?
The molecular formula of S-(Difluoromethyl)homocysteine is C5H9F2NO2S.
What is the molecular weight of S-(Difluoromethyl)homocysteine?
The molecular weight of S-(Difluoromethyl)homocysteine is 185.03 g/mol.
Where can I buy S-(Difluoromethyl)homocysteine?
You can request a quote for S-(Difluoromethyl)homocysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(Difluoromethyl)homocysteine?
Yes, KEHONG BIO provides custom synthesis services for S-(Difluoromethyl)homocysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.