DivK1c_005591
TL;DR: DivK1c_005591 (CAS 313662-67-8) is a chemical compound with molecular formula C21H25N3O4S2 and molecular weight 447.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: DivK1c_005591, CDS1_004551, BIM-0030074.P001, 2-(4-(piperidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, AF-399/14944002
| Molecular Formula | C21H25N3O4S2 |
|---|---|
| Molecular Weight | 447.13 g/mol |
| LogP | 3.1527 |
| Topological Polar Surface Area | 109.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.12866 |
| Heavy Atoms | 30 |
| Complexity | 1068.4163 |
Chemical Identifiers
| CAS Number | 313662-67-8 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N |
Product Overview
DivK1c_005591 (CAS 313662-67-8), with molecular formula C21H25N3O4S2 and molecular weight 447.13 g/mol. IUPAC: 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of DivK1c_005591
Property Insights of DivK1c_005591
The XLogP value of 3.1527 indicates that DivK1c_005591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.57 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005591. Following Lipinski's Rule of Five, DivK1c_005591 has 2 hydrogen bond donor(s) and 5 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_005591?
The CAS number of DivK1c_005591 is 313662-67-8.
What is the molecular formula of DivK1c_005591?
The molecular formula of DivK1c_005591 is C21H25N3O4S2.
What is the molecular weight of DivK1c_005591?
The molecular weight of DivK1c_005591 is 447.13 g/mol.
Where can I buy DivK1c_005591?
You can request a quote for DivK1c_005591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005591?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.