ChemDiv1_023947
TL;DR: ChemDiv1_023947 (CAS 340295-17-2) is a chemical compound with molecular formula C21H18ClN3O5 and molecular weight 427.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6a-(4-chlorophenyl)-5-(3-methoxyphenyl)-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: ChemDiv1_023947, BIM-0047881.P001, AO-081/14336099, ethyl 6a-(4-chlorophenyl)-5-(3-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 6a-(4-chlorophenyl)-5-(3-methoxyphenyl)-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C21H18ClN3O5 |
|---|---|
| Molecular Weight | 427.09 g/mol |
| LogP | 2.2558 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.0935 |
| Heavy Atoms | 30 |
| Complexity | 1068.5664 |
Chemical Identifiers
| CAS Number | 340295-17-2 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_023947 (CAS 340295-17-2), with molecular formula C21H18ClN3O5 and molecular weight 427.09 g/mol. IUPAC: ethyl 6a-(4-chlorophenyl)-5-(3-methoxyphenyl)-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of ChemDiv1_023947
Property Insights of ChemDiv1_023947
The XLogP value of 2.2558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023947. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023947. Following Lipinski's Rule of Five, ChemDiv1_023947 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 ChemDiv1_023947?
The CAS number of ChemDiv1_023947 is 340295-17-2.
What is the molecular formula of ChemDiv1_023947?
The molecular formula of ChemDiv1_023947 is C21H18ClN3O5.
What is the molecular weight of ChemDiv1_023947?
The molecular weight of ChemDiv1_023947 is 427.09 g/mol.
Where can I buy ChemDiv1_023947?
You can request a quote for ChemDiv1_023947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023947?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.