ChemDiv1_004672
TL;DR: ChemDiv1_004672 (CAS 314251-04-2) is a chemical compound with molecular formula C19H17FN2OS2 and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: ChemDiv1_004672, N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-{5-[(4-fluorophenyl)methyl](1,3-thiazol-2-yl)}-4,5,6,7-tetrahydrobenzo[b]thi ophen-3-ylcarboxamide
| Molecular Formula | C19H17FN2OS2 |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 5.0656 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.07663 |
| Heavy Atoms | 25 |
| Complexity | 898.5473 |
Chemical Identifiers
| CAS Number | 314251-04-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=CS2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F |
Product Overview
ChemDiv1_004672 (CAS 314251-04-2), with molecular formula C19H17FN2OS2 and molecular weight 372.08 g/mol. IUPAC: N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of ChemDiv1_004672
Property Insights of ChemDiv1_004672
The XLogP value of 5.0656 indicates that ChemDiv1_004672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, ChemDiv1_004672 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004672 has 1 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 ChemDiv1_004672?
The CAS number of ChemDiv1_004672 is 314251-04-2.
What is the molecular formula of ChemDiv1_004672?
The molecular formula of ChemDiv1_004672 is C19H17FN2OS2.
What is the molecular weight of ChemDiv1_004672?
The molecular weight of ChemDiv1_004672 is 372.08 g/mol.
Where can I buy ChemDiv1_004672?
You can request a quote for ChemDiv1_004672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004672?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.