ChemDiv3_004250
TL;DR: ChemDiv3_004250 (CAS 445268-99-5) is a chemical compound with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-(5-chloro-2-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Also Known As: ChemDiv3_004250, 3-amino-N-(5-chloro-2-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide, IDI1_022160, AM-807/13615858, 3-amino-N-(5-chloro-2-methoxyphenyl)-6-ethyl-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide
| Molecular Formula | C21H22ClN3O2S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 5.3077 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.11212 |
| Heavy Atoms | 28 |
| Complexity | 1063.4756 |
Chemical Identifiers
| CAS Number | 445268-99-5 |
|---|---|
| SMILES | CCC1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=C(C=CC(=C4)Cl)OC)N |
Product Overview
ChemDiv3_004250 (CAS 445268-99-5), with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol. IUPAC: 3-amino-N-(5-chloro-2-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
Chemical Property Profile of ChemDiv3_004250
Property Insights of ChemDiv3_004250
The XLogP value of 5.3077 indicates that ChemDiv3_004250 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004250. Following Lipinski's Rule of Five, ChemDiv3_004250 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_004250?
The CAS number of ChemDiv3_004250 is 445268-99-5.
What is the molecular formula of ChemDiv3_004250?
The molecular formula of ChemDiv3_004250 is C21H22ClN3O2S.
What is the molecular weight of ChemDiv3_004250?
The molecular weight of ChemDiv3_004250 is 415.11 g/mol.
Where can I buy ChemDiv3_004250?
You can request a quote for ChemDiv3_004250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004250?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.