NCI60_032406
TL;DR: NCI60_032406 (CAS 189067-63-8) is a chemical compound with molecular formula C18H21N3O2S2 and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: NCI60_032406, AB00093416-01, ethyl 6-methyl-2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate, ethyl 2-[(anilinocarbonothioyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 6-methyl-2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C18H21N3O2S2 |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 3.7216 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.1075 |
| Heavy Atoms | 25 |
| Complexity | 774.1284 |
Chemical Identifiers
| CAS Number | 189067-63-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NC3=CC=CC=C3 |
Product Overview
NCI60_032406 (CAS 189067-63-8), with molecular formula C18H21N3O2S2 and molecular weight 375.11 g/mol. IUPAC: ethyl 6-methyl-2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of NCI60_032406
Property Insights of NCI60_032406
The XLogP value of 3.7216 indicates that NCI60_032406 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_032406 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_032406 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_032406?
The CAS number of NCI60_032406 is 189067-63-8.
What is the molecular formula of NCI60_032406?
The molecular formula of NCI60_032406 is C18H21N3O2S2.
What is the molecular weight of NCI60_032406?
The molecular weight of NCI60_032406 is 375.11 g/mol.
Where can I buy NCI60_032406?
You can request a quote for NCI60_032406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_032406?
Yes, KEHONG BIO provides custom synthesis services for NCI60_032406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.