BRN 4205127
TL;DR: BRN 4205127 (CAS 132605-07-3) is a chemical compound with molecular formula C19H22N2O2S2 and molecular weight 374.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: 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, ethyl 2-(methylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C19H22N2O2S2 |
|---|---|
| Molecular Weight | 374.11 g/mol |
| LogP | 5.0026 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.11227 |
| Heavy Atoms | 25 |
| Complexity | 756.2846 |
Chemical Identifiers
| CAS Number | 132605-07-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=CC=C3 |
Product Overview
BRN 4205127 (CAS 132605-07-3), with molecular formula C19H22N2O2S2 and molecular weight 374.11 g/mol. IUPAC: ethyl 2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of BRN 4205127
Property Insights of BRN 4205127
The XLogP value of 5.0026 indicates that BRN 4205127 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, BRN 4205127 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 374.11 g/mol.
Where can I buy BRN 4205127?
You can request a quote for BRN 4205127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 4205127?
Yes, KEHONG BIO provides custom synthesis services for BRN 4205127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.