ChemDiv3_001128
TL;DR: ChemDiv3_001128 (CAS 313704-64-2) is a chemical compound with molecular formula C13H8Cl2N2O5S and molecular weight 373.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,6-dichloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: ChemDiv3_001128, IDI1_020094, {2,6-dichloro-4-[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]phenoxy}acetic acid, 2-(2,6-dichloro-4-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-[2,6-dichloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
| Molecular Formula | C13H8Cl2N2O5S |
|---|---|
| Molecular Weight | 373.95 g/mol |
| LogP | 1.3711 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.9531 |
| Heavy Atoms | 23 |
| Complexity | 717.7269 |
Chemical Identifiers
| CAS Number | 313704-64-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)OCC(=O)O)Cl)C=C2C(=O)NC(=S)NC2=O |
Product Overview
ChemDiv3_001128 (CAS 313704-64-2), with molecular formula C13H8Cl2N2O5S and molecular weight 373.95 g/mol. IUPAC: 2-[2,6-dichloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of ChemDiv3_001128
Property Insights of ChemDiv3_001128
The XLogP value of 1.3711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_001128. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001128. Following Lipinski's Rule of Five, ChemDiv3_001128 has 3 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 ChemDiv3_001128?
The CAS number of ChemDiv3_001128 is 313704-64-2.
What is the molecular formula of ChemDiv3_001128?
The molecular formula of ChemDiv3_001128 is C13H8Cl2N2O5S.
What is the molecular weight of ChemDiv3_001128?
The molecular weight of ChemDiv3_001128 is 373.95 g/mol.
Where can I buy ChemDiv3_001128?
You can request a quote for ChemDiv3_001128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001128?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.