ChemDiv1_006975
TL;DR: ChemDiv1_006975 (CAS 347386-15-6) is a chemical compound with molecular formula C19H13ClN2O5S and molecular weight 416.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: ChemDiv1_006975, 2-(2-chloro-4-((4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-[2-chloro-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
| Molecular Formula | C19H13ClN2O5S |
|---|---|
| Molecular Weight | 416.02 g/mol |
| LogP | 2.6347 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.02338 |
| Heavy Atoms | 28 |
| Complexity | 1006.6385 |
Chemical Identifiers
| CAS Number | 347386-15-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)Cl)C(=O)NC2=S |
Product Overview
ChemDiv1_006975 (CAS 347386-15-6), with molecular formula C19H13ClN2O5S and molecular weight 416.02 g/mol. IUPAC: 2-[2-chloro-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of ChemDiv1_006975
Property Insights of ChemDiv1_006975
The XLogP value of 2.6347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_006975. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006975. Following Lipinski's Rule of Five, ChemDiv1_006975 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 ChemDiv1_006975?
The CAS number of ChemDiv1_006975 is 347386-15-6.
What is the molecular formula of ChemDiv1_006975?
The molecular formula of ChemDiv1_006975 is C19H13ClN2O5S.
What is the molecular weight of ChemDiv1_006975?
The molecular weight of ChemDiv1_006975 is 416.02 g/mol.
Where can I buy ChemDiv1_006975?
You can request a quote for ChemDiv1_006975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006975?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.