BAS 00700351
TL;DR: BAS 00700351 (CAS 105544-64-7) is a chemical compound with molecular formula C18H26N2O2S2 and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(cyclohexylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00700351, ethyl 2-(3-cyclohexylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-(cyclohexylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{[(CYCLOHEXYLAMINO)CARBOTHIOYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H26N2O2S2 |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 4.4227 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.1436 |
| Heavy Atoms | 24 |
| Complexity | 606.4051 |
Chemical Identifiers
| CAS Number | 105544-64-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CCCCC3 |
Product Overview
BAS 00700351 (CAS 105544-64-7), with molecular formula C18H26N2O2S2 and molecular weight 366.14 g/mol. IUPAC: ethyl 2-(cyclohexylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00700351
Property Insights of BAS 00700351
The XLogP value of 4.4227 indicates that BAS 00700351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, BAS 00700351 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00700351 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 BAS 00700351?
The CAS number of BAS 00700351 is 105544-64-7.
What is the molecular formula of BAS 00700351?
The molecular formula of BAS 00700351 is C18H26N2O2S2.
What is the molecular weight of BAS 00700351?
The molecular weight of BAS 00700351 is 366.14 g/mol.
Where can I buy BAS 00700351?
You can request a quote for BAS 00700351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00700351?
Yes, KEHONG BIO provides custom synthesis services for BAS 00700351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.