DivK1c_004794
TL;DR: DivK1c_004794 (CAS 328271-32-5) is a chemical compound with molecular formula C20H21Cl3N4O3S2 and molecular weight 534.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: DivK1c_004794, CDS1_003754, BAS 00247549, BIM-0010988.P001, 2-[[2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C20H21Cl3N4O3S2 |
|---|---|
| Molecular Weight | 534.01 g/mol |
| LogP | 4.1471 |
| Topological Polar Surface Area | 105.48 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.0121 |
| Heavy Atoms | 32 |
| Complexity | 1022.3327 |
Chemical Identifiers
| CAS Number | 328271-32-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N |
Product Overview
DivK1c_004794 (CAS 328271-32-5), with molecular formula C20H21Cl3N4O3S2 and molecular weight 534.01 g/mol. IUPAC: 2-[[2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of DivK1c_004794
Property Insights of DivK1c_004794
The XLogP value of 4.1471 indicates that DivK1c_004794 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.48 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_004794. Following Lipinski's Rule of Five, DivK1c_004794 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DivK1c_004794?
The CAS number of DivK1c_004794 is 328271-32-5.
What is the molecular formula of DivK1c_004794?
The molecular formula of DivK1c_004794 is C20H21Cl3N4O3S2.
What is the molecular weight of DivK1c_004794?
The molecular weight of DivK1c_004794 is 534.01 g/mol.
Where can I buy DivK1c_004794?
You can request a quote for DivK1c_004794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_004794?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_004794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.