C 5501
TL;DR: C 5501 (CAS 95770-03-9) is a chemical compound with molecular formula C12H18Cl2N2OS and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
C 5501
2-[2-(2-chloroanilino)-2-oxoethyl]sulfanylethyl-dimethylazanium chloride
Also Known As: C 5501, 2'-Chloro-2-(2-(dimethylamino)ethylthio)acetanilide hydrochloride, ACETANILIDE, 2'-CHLORO-2-(2-(DIMETHYLAMINO)ETHYLTHIO)-, HYDROCHLORIDE, 2-[2-(2-chloroanilino)-2-oxoethyl]sulfanylethyl-dimethylazanium chloride
| Molecular Formula | C12H18Cl2N2OS |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | -1.84 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.0517 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 95770-03-9 |
|---|---|
| SMILES | C[NH+](C)CCSCC(=O)NC1=CC=CC=C1Cl.[Cl-] |
| InChIKey | RYDMPPQRLCHWJA-UHFFFAOYSA-N |
Product Overview
C 5501 (CAS 95770-03-9), with molecular formula C12H18Cl2N2OS and molecular weight 308.05 g/mol. IUPAC: 2-[2-(2-chloroanilino)-2-oxoethyl]sulfanylethyl-dimethylazanium chloride.
Chemical Property Profile of C 5501
Property Insights of C 5501
The XLogP value of -1.84 indicates that C 5501 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.8 Ų, C 5501 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C 5501 has 2 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 C 5501?
The CAS number of C 5501 is 95770-03-9.
What is the molecular formula of C 5501?
The molecular formula of C 5501 is C12H18Cl2N2OS.
What is the molecular weight of C 5501?
The molecular weight of C 5501 is 308.05 g/mol.
Where can I buy C 5501?
You can request a quote for C 5501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C 5501?
Yes, KEHONG BIO provides custom synthesis services for C 5501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.