BRN 4205127
TL;DR: BRN 4205127 (CAS 132605-07-3) is a chemical compound with molecular formula C19H22N2O2S2 and molecular weight 374.11227 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: BIM-0010379.P001, ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, 4H-Cyclohepta(b)thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester, ethyl 2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(anilinocarbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C19H22N2O2S2 |
| Molecular Weight | 374.11227 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.11227 Da |
| Heavy Atoms | 25 |
| Complexity | 468.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=CC=C3 |
| InChIKey | KDFGYUFFWXLHOI-UHFFFAOYSA-N |
Chemical Property Profile of BRN 4205127
Property Insights of BRN 4205127
The XLogP value of 5.6 indicates that BRN 4205127 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 BRN 4205127. Following Lipinski's Rule of Five, BRN 4205127 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BRN 4205127?
The CAS number of BRN 4205127 is 132605-07-3.
What is the molecular formula of BRN 4205127?
The molecular formula of BRN 4205127 is C19H22N2O2S2.
What is the molecular weight of BRN 4205127?
The molecular weight of BRN 4205127 is 374.11227 g/mol.
Where can I buy BRN 4205127?
You can request a quote for BRN 4205127 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BRN 4205127?
Yes, CoreyChem provides custom synthesis services for BRN 4205127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.