N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine
TL;DR: N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine (CAS 24731-94-0) is a chemical compound with molecular formula C18H15ClN2O3S3 and molecular weight 437.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetyl]amino]-3-sulfanylpropanoic acid
Also Known As: 9-dimethoxymethylanthracene, Wy 45368, Wy-45,368, WY 46135, Wy 46,135
| Molecular Formula | C18H15ClN2O3S3 |
|---|---|
| Molecular Weight | 437.99 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.99335 |
| Heavy Atoms | 27 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 24731-94-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)NC(CS)C(=O)O)SC2=NC3=C(S2)C=CC(=C3)Cl |
| InChIKey | VOWIUTIDACTQDT-UHFFFAOYSA-N |
Product Overview
N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine (CAS 24731-94-0), with molecular formula C18H15ClN2O3S3 and molecular weight 437.99 g/mol. IUPAC: 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetyl]amino]-3-sulfanylpropanoic acid.
Chemical Property Profile of N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine
Property Insights of N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine
The XLogP value of 4.8 indicates that N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine. Following Lipinski's Rule of Five, N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine 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 N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine?
The CAS number of N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine is 24731-94-0.
What is the molecular formula of N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine?
The molecular formula of N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine is C18H15ClN2O3S3.
What is the molecular weight of N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine?
The molecular weight of N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine is 437.99 g/mol.
Where can I buy N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine?
You can request a quote for N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine?
Yes, KEHONG BIO provides custom synthesis services for N-((((5-chloro-2-benzothiazolyl)thio)phenyl)acetyl)cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.