羧甲司坦亚砜
TL;DR: 羧甲司坦亚砜 (CAS 5439-87-2) is a chemical compound with molecular formula C5H9NO5S and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羧甲司坦亚砜
2-amino-3-(carboxymethylsulfinyl)propanoic acid
Also Known As: Carbocysteine sulfoxide, Carbocysteine sulphoxide, Carbocisteine-sulfoxide, Carbocisteine Sulfoxide, H-Cys(carboxymethyl)-OH
| Molecular Formula | C5H9NO5S |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | -4.6 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.02014 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 5439-87-2 |
|---|---|
| SMILES | C(C(C(=O)O)N)S(=O)CC(=O)O |
| InChIKey | DUGSIUCROZRSMS-UHFFFAOYSA-N |
Product Overview
羧甲司坦亚砜 (CAS 5439-87-2), with molecular formula C5H9NO5S and molecular weight 195.02 g/mol. IUPAC: 2-amino-3-(carboxymethylsulfinyl)propanoic acid.
Chemical Property Profile of 羧甲司坦亚砜
Property Insights of 羧甲司坦亚砜
The XLogP value of -4.6 indicates that 羧甲司坦亚砜 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 羧甲司坦亚砜. Following Lipinski's Rule of Five, 羧甲司坦亚砜 has 3 hydrogen bond donor(s) and 7 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 羧甲司坦亚砜?
The CAS number of 羧甲司坦亚砜 is 5439-87-2.
What is the molecular formula of 羧甲司坦亚砜?
The molecular formula of 羧甲司坦亚砜 is C5H9NO5S.
What is the molecular weight of 羧甲司坦亚砜?
The molecular weight of 羧甲司坦亚砜 is 195.02 g/mol.
Where can I buy 羧甲司坦亚砜?
You can request a quote for 羧甲司坦亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羧甲司坦亚砜?
Yes, KEHONG BIO provides custom synthesis services for 羧甲司坦亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.