ChemDiv2_006231
TL;DR: ChemDiv2_006231 (CAS 851130-00-2) is a chemical compound with molecular formula C19H22N4O6S and molecular weight 434.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: ChemDiv2_006231, IDI1_004946, ethyl 4-(2-((5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetyl)piperazine-1-carboxylate, ETHYL 4-(2-{[5-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETYL)PIPERAZINE-1-CARBOXYLATE, ethyl 4-[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C19H22N4O6S |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 1.9749 |
| Topological Polar Surface Area | 107.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.126 |
| Heavy Atoms | 30 |
| Complexity | 898.6547 |
Chemical Identifiers
| CAS Number | 851130-00-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(O2)C3COC4=CC=CC=C4O3 |
Product Overview
ChemDiv2_006231 (CAS 851130-00-2), with molecular formula C19H22N4O6S and molecular weight 434.13 g/mol. IUPAC: ethyl 4-[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv2_006231
Property Insights of ChemDiv2_006231
The XLogP value of 1.9749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006231. The TPSA of 107.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006231. Following Lipinski's Rule of Five, ChemDiv2_006231 has 0 hydrogen bond donor(s) and 9 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_006231?
The CAS number of ChemDiv2_006231 is 851130-00-2.
What is the molecular formula of ChemDiv2_006231?
The molecular formula of ChemDiv2_006231 is C19H22N4O6S.
What is the molecular weight of ChemDiv2_006231?
The molecular weight of ChemDiv2_006231 is 434.13 g/mol.
Where can I buy ChemDiv2_006231?
You can request a quote for ChemDiv2_006231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006231?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.