ChemDiv1_001110
TL;DR: ChemDiv1_001110 (CAS 303137-04-4) is a chemical compound with molecular formula C18H21N3O7S and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_001110, BAS 00679737, 2-(ethylsulfanyl)ethyl 1,6-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-ethylsulfanylethyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate, 2-(ETHYLSULFANYL)ETHYL 1,6-DIMETHYL-4-(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C18H21N3O7S |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 2.5899 |
| Topological Polar Surface Area | 120.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.11002 |
| Heavy Atoms | 29 |
| Complexity | 886.45087 |
Chemical Identifiers
| CAS Number | 303137-04-4 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C)C |
Product Overview
ChemDiv1_001110 (CAS 303137-04-4), with molecular formula C18H21N3O7S and molecular weight 423.11 g/mol. IUPAC: 2-ethylsulfanylethyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001110
Property Insights of ChemDiv1_001110
The XLogP value of 2.5899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001110. The TPSA of 120.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001110. Following Lipinski's Rule of Five, ChemDiv1_001110 has 1 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 ChemDiv1_001110?
The CAS number of ChemDiv1_001110 is 303137-04-4.
What is the molecular formula of ChemDiv1_001110?
The molecular formula of ChemDiv1_001110 is C18H21N3O7S.
What is the molecular weight of ChemDiv1_001110?
The molecular weight of ChemDiv1_001110 is 423.11 g/mol.
Where can I buy ChemDiv1_001110?
You can request a quote for ChemDiv1_001110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001110?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.