NCI60_032407
TL;DR: NCI60_032407 (CAS 189067-64-9) is a chemical compound with molecular formula C18H20ClN3O2S2 and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorophenyl)carbamothioylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: NCI60_032407, ethyl 2-[(4-chlorophenyl)carbamothioylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate, 2-[3-(4-Chloro-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester, 2-[(4-chlorophenyl)thiocarbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester, 2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
| Molecular Formula | C18H20ClN3O2S2 |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 4.375 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.06854 |
| Heavy Atoms | 26 |
| Complexity | 820.58887 |
Chemical Identifiers
| CAS Number | 189067-64-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NC3=CC=C(C=C3)Cl |
Product Overview
NCI60_032407 (CAS 189067-64-9), with molecular formula C18H20ClN3O2S2 and molecular weight 409.07 g/mol. IUPAC: ethyl 2-[(4-chlorophenyl)carbamothioylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of NCI60_032407
Property Insights of NCI60_032407
The XLogP value of 4.375 indicates that NCI60_032407 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, NCI60_032407 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_032407 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 NCI60_032407?
The CAS number of NCI60_032407 is 189067-64-9.
What is the molecular formula of NCI60_032407?
The molecular formula of NCI60_032407 is C18H20ClN3O2S2.
What is the molecular weight of NCI60_032407?
The molecular weight of NCI60_032407 is 409.07 g/mol.
Where can I buy NCI60_032407?
You can request a quote for NCI60_032407 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_032407?
Yes, KEHONG BIO provides custom synthesis services for NCI60_032407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.