ChemDiv1_010811
TL;DR: ChemDiv1_010811 (CAS 339583-41-4) is a chemical compound with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetate
Also Known As: ChemDiv1_010811, tert-butyl [(3-cyano-6-methyl-4-thien-2-yl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]acetate, tert-butyl {[3-cyano-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]sulfanyl}acetate, tert-butyl 2-((3-cyano-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)acetate, tert-butyl 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetate
| Molecular Formula | C20H23N3O2S2 |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 4.10348 |
| Topological Polar Surface Area | 66.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.12317 |
| Heavy Atoms | 27 |
| Complexity | 880.10736 |
Chemical Identifiers
| CAS Number | 339583-41-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CSC1=NC2=C(CN(CC2)C)C(=C1C#N)C3=CC=CS3 |
Product Overview
ChemDiv1_010811 (CAS 339583-41-4), with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol. IUPAC: tert-butyl 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_010811
Property Insights of ChemDiv1_010811
The XLogP value of 4.10348 indicates that ChemDiv1_010811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010811. Following Lipinski's Rule of Five, ChemDiv1_010811 has 0 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 ChemDiv1_010811?
The CAS number of ChemDiv1_010811 is 339583-41-4.
What is the molecular formula of ChemDiv1_010811?
The molecular formula of ChemDiv1_010811 is C20H23N3O2S2.
What is the molecular weight of ChemDiv1_010811?
The molecular weight of ChemDiv1_010811 is 401.12 g/mol.
Where can I buy ChemDiv1_010811?
You can request a quote for ChemDiv1_010811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010811?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.