ChemDiv2_007239
TL;DR: ChemDiv2_007239 (CAS 866809-01-0) is a chemical compound with molecular formula C21H19N3O6S2 and molecular weight 473.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ChemDiv2_007239, IDI1_005954, F1604-0772, ethyl 4-(2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate, ethyl 4-[[2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C21H19N3O6S2 |
|---|---|
| Molecular Weight | 473.07 g/mol |
| LogP | 2.5102 |
| Topological Polar Surface Area | 135.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.07153 |
| Heavy Atoms | 32 |
| Complexity | 1272.8921 |
Chemical Identifiers
| CAS Number | 866809-01-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
ChemDiv2_007239 (CAS 866809-01-0), with molecular formula C21H19N3O6S2 and molecular weight 473.07 g/mol. IUPAC: ethyl 4-[[2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ChemDiv2_007239
Property Insights of ChemDiv2_007239
The XLogP value of 2.5102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_007239. The TPSA of 135.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_007239. Following Lipinski's Rule of Five, ChemDiv2_007239 has 2 hydrogen bond donor(s) and 8 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 ChemDiv2_007239?
The CAS number of ChemDiv2_007239 is 866809-01-0.
What is the molecular formula of ChemDiv2_007239?
The molecular formula of ChemDiv2_007239 is C21H19N3O6S2.
What is the molecular weight of ChemDiv2_007239?
The molecular weight of ChemDiv2_007239 is 473.07 g/mol.
Where can I buy ChemDiv2_007239?
You can request a quote for ChemDiv2_007239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007239?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.