NCI60_040311
TL;DR: NCI60_040311 (CAS 370841-06-8) is a chemical compound with molecular formula C16H22N2O2S2 and molecular weight 338.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: NCI60_040311, ethyl 2-(3-allylthioureido)-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 5-methyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 5-methyl-2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H22N2O2S2 |
|---|---|
| Molecular Weight | 338.11 g/mol |
| LogP | 3.522 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.11227 |
| Heavy Atoms | 22 |
| Complexity | 580.9461 |
Chemical Identifiers
| CAS Number | 370841-06-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=S)NCC=C |
Product Overview
NCI60_040311 (CAS 370841-06-8), with molecular formula C16H22N2O2S2 and molecular weight 338.11 g/mol. IUPAC: ethyl 5-methyl-2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of NCI60_040311
Property Insights of NCI60_040311
The XLogP value of 3.522 indicates that NCI60_040311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, NCI60_040311 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_040311 has 2 hydrogen bond donor(s) and 4 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_040311?
The CAS number of NCI60_040311 is 370841-06-8.
What is the molecular formula of NCI60_040311?
The molecular formula of NCI60_040311 is C16H22N2O2S2.
What is the molecular weight of NCI60_040311?
The molecular weight of NCI60_040311 is 338.11 g/mol.
Where can I buy NCI60_040311?
You can request a quote for NCI60_040311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_040311?
Yes, KEHONG BIO provides custom synthesis services for NCI60_040311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.