AP-970/41680455
TL;DR: AP-970/41680455 (CAS 637302-22-8) is a chemical compound with molecular formula C21H20ClN3O2S2 and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: AP-970/41680455, N-[(3-chloro-1-benzothien-2-yl)carbonyl]-N'-[4-(4-morpholinylmethyl)phenyl]thiourea, 3-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-1-benzothiophene-2-carboxamide, 3-(3-CHLORO-1-BENZOTHIOPHENE-2-CARBONYL)-1-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]THIOUREA
| Molecular Formula | C21H20ClN3O2S2 |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 4.5137 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.06854 |
| Heavy Atoms | 29 |
| Complexity | 1030.0872 |
Chemical Identifiers
| CAS Number | 637302-22-8 |
|---|---|
| SMILES | C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
AP-970/41680455 (CAS 637302-22-8), with molecular formula C21H20ClN3O2S2 and molecular weight 445.07 g/mol. IUPAC: 3-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of AP-970/41680455
Property Insights of AP-970/41680455
The XLogP value of 4.5137 indicates that AP-970/41680455 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, AP-970/41680455 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-970/41680455 has 2 hydrogen bond donor(s) and 5 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 AP-970/41680455?
The CAS number of AP-970/41680455 is 637302-22-8.
What is the molecular formula of AP-970/41680455?
The molecular formula of AP-970/41680455 is C21H20ClN3O2S2.
What is the molecular weight of AP-970/41680455?
The molecular weight of AP-970/41680455 is 445.07 g/mol.
Where can I buy AP-970/41680455?
You can request a quote for AP-970/41680455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/41680455?
Yes, KEHONG BIO provides custom synthesis services for AP-970/41680455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.