NCI60_032405
TL;DR: NCI60_032405 (CAS 63183-11-9) is a chemical compound with molecular formula C18H21NO4S2 and molecular weight 379.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: NCI60_032405, ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl-2-tosylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, ethyl 2-(4-methylphenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C18H21NO4S2 |
|---|---|
| Molecular Weight | 379.09 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.0912 |
| Heavy Atoms | 25 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 63183-11-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | RMFPMCARNSZRLJ-UHFFFAOYSA-N |
Product Overview
NCI60_032405 (CAS 63183-11-9), with molecular formula C18H21NO4S2 and molecular weight 379.09 g/mol. IUPAC: ethyl 2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of NCI60_032405
Property Insights of NCI60_032405
The XLogP value of 4.8 indicates that NCI60_032405 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_032405. Following Lipinski's Rule of Five, NCI60_032405 has 1 hydrogen bond donor(s) and 6 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_032405?
The CAS number of NCI60_032405 is 63183-11-9.
What is the molecular formula of NCI60_032405?
The molecular formula of NCI60_032405 is C18H21NO4S2.
What is the molecular weight of NCI60_032405?
The molecular weight of NCI60_032405 is 379.09 g/mol.
Where can I buy NCI60_032405?
You can request a quote for NCI60_032405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_032405?
Yes, KEHONG BIO provides custom synthesis services for NCI60_032405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.