ChemDiv3_007054
TL;DR: ChemDiv3_007054 (CAS 483984-83-4) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
Also Known As: ChemDiv3_007054, CBKinase1_011027, CBKinase1_023427, IDI1_024964, 4-amino-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 1.9169 |
| Topological Polar Surface Area | 98.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 812.23 |
Chemical Identifiers
| CAS Number | 483984-83-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCC3=CC=CC=C32 |
Product Overview
ChemDiv3_007054 (CAS 483984-83-4), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: ethyl 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv3_007054
Property Insights of ChemDiv3_007054
The XLogP value of 1.9169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_007054. The TPSA of 98.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007054. Following Lipinski's Rule of Five, ChemDiv3_007054 has 1 hydrogen bond donor(s) and 7 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_007054?
The CAS number of ChemDiv3_007054 is 483984-83-4.
What is the molecular formula of ChemDiv3_007054?
The molecular formula of ChemDiv3_007054 is C17H18N4O3S.
What is the molecular weight of ChemDiv3_007054?
The molecular weight of ChemDiv3_007054 is 358.11 g/mol.
Where can I buy ChemDiv3_007054?
You can request a quote for ChemDiv3_007054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007054?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.