ChemDiv1_006555
TL;DR: ChemDiv1_006555 (CAS 387359-17-3) is a chemical compound with molecular formula C22H12Cl2N2O2S and molecular weight 438.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: ChemDiv1_006555, N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-chloro-1-benzothiophene-2-carboxamide, N-(3-(benzo[d]oxazol-2-yl)-4-chlorophenyl)-3-chlorobenzo[b]thiophene-2-carboxamide, N-(3-benzoxazol-2-yl-4-chlorophenyl)(3-chlorobenzo[b]thiophen-2-yl)carboxamide
| Molecular Formula | C22H12Cl2N2O2S |
|---|---|
| Molecular Weight | 438.00 g/mol |
| LogP | 7.2686 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.99966 |
| Heavy Atoms | 29 |
| Complexity | 1357.3893 |
Chemical Identifiers
| CAS Number | 387359-17-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5O4)Cl |
Product Overview
ChemDiv1_006555 (CAS 387359-17-3), with molecular formula C22H12Cl2N2O2S and molecular weight 438.00 g/mol. IUPAC: N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_006555
Property Insights of ChemDiv1_006555
The XLogP value of 7.2686 indicates that ChemDiv1_006555 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, ChemDiv1_006555 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006555 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_006555?
The CAS number of ChemDiv1_006555 is 387359-17-3.
What is the molecular formula of ChemDiv1_006555?
The molecular formula of ChemDiv1_006555 is C22H12Cl2N2O2S.
What is the molecular weight of ChemDiv1_006555?
The molecular weight of ChemDiv1_006555 is 438.00 g/mol.
Where can I buy ChemDiv1_006555?
You can request a quote for ChemDiv1_006555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006555?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.