BAS 00435726
TL;DR: BAS 00435726 (CAS 316359-82-7) 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 2-(2-methylprop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00435726, BIM-0020893.P001, ethyl 2-(3-(2-methylallyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[(2-methylprop-2-enyl)amino]thioxomethyl}amino)-4,5,6,7-tetrahydrobe nzo[b]thiophene-3-carboxylate
| Molecular Formula | C16H22N2O2S2 |
|---|---|
| Molecular Weight | 338.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.11227 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 316359-82-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC(=C)C |
| InChIKey | SOGBHLUPPPBOMR-UHFFFAOYSA-N |
Product Overview
BAS 00435726 (CAS 316359-82-7), with molecular formula C16H22N2O2S2 and molecular weight 338.11 g/mol. IUPAC: ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00435726
Property Insights of BAS 00435726
The XLogP value of 4.8 indicates that BAS 00435726 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00435726. Following Lipinski's Rule of Five, BAS 00435726 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 00435726?
The CAS number of BAS 00435726 is 316359-82-7.
What is the molecular formula of BAS 00435726?
The molecular formula of BAS 00435726 is C16H22N2O2S2.
What is the molecular weight of BAS 00435726?
The molecular weight of BAS 00435726 is 338.11 g/mol.
Where can I buy BAS 00435726?
You can request a quote for BAS 00435726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435726?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.