A2643/0112589
TL;DR: A2643/0112589 (CAS 400066-75-3) is a chemical compound with molecular formula C15H15ClN4O3S2 and molecular weight 398.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-chloro-4-nitroanilino)propylcarbamothioyl]thiophene-2-carboxamide
Also Known As: A2643/0112589, N-[3-(2-chloro-4-nitroanilino)propylcarbamothioyl]thiophene-2-carboxamide, N-((3-((2-chloro-4-nitrophenyl)amino)propyl)carbamothioyl)thiophene-2-carboxamide, N-({3-[(2-chloro-4-nitrophenyl)amino]propyl}carbamothioyl)thiophene-2-carboxamide, N-[3-(2-CHLORO-4-NITROANILINO)PROPYL]-N'-(2-THIENYLCARBONYL)THIOUREA
| Molecular Formula | C15H15ClN4O3S2 |
|---|---|
| Molecular Weight | 398.03 g/mol |
| LogP | 3.4162 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.0274 |
| Heavy Atoms | 25 |
| Complexity | 768.1419 |
Chemical Identifiers
| CAS Number | 400066-75-3 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)NC(=S)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
A2643/0112589 (CAS 400066-75-3), with molecular formula C15H15ClN4O3S2 and molecular weight 398.03 g/mol. IUPAC: N-[3-(2-chloro-4-nitroanilino)propylcarbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of A2643/0112589
Property Insights of A2643/0112589
The XLogP value of 3.4162 indicates that A2643/0112589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A2643/0112589. Following Lipinski's Rule of Five, A2643/0112589 has 3 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 A2643/0112589?
The CAS number of A2643/0112589 is 400066-75-3.
What is the molecular formula of A2643/0112589?
The molecular formula of A2643/0112589 is C15H15ClN4O3S2.
What is the molecular weight of A2643/0112589?
The molecular weight of A2643/0112589 is 398.03 g/mol.
Where can I buy A2643/0112589?
You can request a quote for A2643/0112589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2643/0112589?
Yes, KEHONG BIO provides custom synthesis services for A2643/0112589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.