SDCCGSBI-0660211.P001
TL;DR: SDCCGSBI-0660211.P001 (CAS 536722-84-6) is a chemical compound with molecular formula C18H14ClFN4O2S and molecular weight 404.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethylcarbamothioyl)-1,2-oxazole-4-carboxamide
Also Known As: SDCCGSBI-0660211.P001, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-((pyridin-3-ylmethyl)carbamothioyl)isoxazole-4-carboxamide, 3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethylcarbamothioyl)-1,2-oxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-{[(3-pyridinylmethyl)amino]carbonothioyl}-4-isoxazolecarboxamide
| Molecular Formula | C18H14ClFN4O2S |
|---|---|
| Molecular Weight | 404.05 g/mol |
| LogP | 3.64202 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.051 |
| Heavy Atoms | 27 |
| Complexity | 974.0316 |
Chemical Identifiers
| CAS Number | 536722-84-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(=S)NCC3=CN=CC=C3 |
Product Overview
SDCCGSBI-0660211.P001 (CAS 536722-84-6), with molecular formula C18H14ClFN4O2S and molecular weight 404.05 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethylcarbamothioyl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of SDCCGSBI-0660211.P001
Property Insights of SDCCGSBI-0660211.P001
The XLogP value of 3.64202 indicates that SDCCGSBI-0660211.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for SDCCGSBI-0660211.P001. Following Lipinski's Rule of Five, SDCCGSBI-0660211.P001 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 SDCCGSBI-0660211.P001?
The CAS number of SDCCGSBI-0660211.P001 is 536722-84-6.
What is the molecular formula of SDCCGSBI-0660211.P001?
The molecular formula of SDCCGSBI-0660211.P001 is C18H14ClFN4O2S.
What is the molecular weight of SDCCGSBI-0660211.P001?
The molecular weight of SDCCGSBI-0660211.P001 is 404.05 g/mol.
Where can I buy SDCCGSBI-0660211.P001?
You can request a quote for SDCCGSBI-0660211.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SDCCGSBI-0660211.P001?
Yes, KEHONG BIO provides custom synthesis services for SDCCGSBI-0660211.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.