DivK1c_005781
TL;DR: DivK1c_005781 (CAS 370575-99-8) is a chemical compound with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methoxybenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: DivK1c_005781, CDS1_004741, BIM-0036481.P001, ethyl 2-(3-(4-methoxybenzoyl)thioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C21H24N2O4S2 |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 4.3291 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.11774 |
| Heavy Atoms | 29 |
| Complexity | 906.1501 |
Chemical Identifiers
| CAS Number | 370575-99-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC=C(C=C3)OC |
Product Overview
DivK1c_005781 (CAS 370575-99-8), with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol. IUPAC: ethyl 2-[(4-methoxybenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of DivK1c_005781
Property Insights of DivK1c_005781
The XLogP value of 4.3291 indicates that DivK1c_005781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005781. Following Lipinski's Rule of Five, DivK1c_005781 has 2 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 DivK1c_005781?
The CAS number of DivK1c_005781 is 370575-99-8.
What is the molecular formula of DivK1c_005781?
The molecular formula of DivK1c_005781 is C21H24N2O4S2.
What is the molecular weight of DivK1c_005781?
The molecular weight of DivK1c_005781 is 432.12 g/mol.
Where can I buy DivK1c_005781?
You can request a quote for DivK1c_005781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005781?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.