RefChem:497616
TL;DR: RefChem:497616 (CAS 428445-94-7) is a chemical compound with molecular formula C19H18ClN3OS and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-N-(4-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
Also Known As: ChemDiv1_007552, 3-Amino-N-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-Amino-N-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta(B)thieno(3,2-E)pyridine-2-carboxamide, 6-amino-N-(4-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide, 648-678-2
| Molecular Formula | C19H18ClN3OS |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 5.0531 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.0859 |
| Heavy Atoms | 25 |
| Complexity | 949.45276 |
Chemical Identifiers
| CAS Number | 428445-94-7 |
|---|---|
| SMILES | C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=C(C=C4)Cl |
Product Overview
RefChem:497616 (CAS 428445-94-7), with molecular formula C19H18ClN3OS and molecular weight 371.09 g/mol. IUPAC: 6-amino-N-(4-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide.
Chemical Property Profile of RefChem:497616
Property Insights of RefChem:497616
The XLogP value of 5.0531 indicates that RefChem:497616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:497616. Following Lipinski's Rule of Five, RefChem:497616 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:497616?
The CAS number of RefChem:497616 is 428445-94-7.
What is the molecular formula of RefChem:497616?
The molecular formula of RefChem:497616 is C19H18ClN3OS.
What is the molecular weight of RefChem:497616?
The molecular weight of RefChem:497616 is 371.09 g/mol.
Where can I buy RefChem:497616?
You can request a quote for RefChem:497616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:497616?
Yes, KEHONG BIO provides custom synthesis services for RefChem:497616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.