BAS 05014470
TL;DR: BAS 05014470 (CAS 459155-30-7) is a chemical compound with molecular formula C14H11ClFN3O4 and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-chloro-3-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 05014470, AO-081/40738470, ethyl 5-(4-chloro-3-fluorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-(4-chloro-3-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-(4-chloro-3-fluorophenyl)-4,6-dioxo-3,5,3a,6a-tetrahydro-2,3,5-triazap entalenecarboxylate
| Molecular Formula | C14H11ClFN3O4 |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 0.8594 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.0422 |
| Heavy Atoms | 23 |
| Complexity | 751.53796 |
Chemical Identifiers
| CAS Number | 459155-30-7 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)F |
Product Overview
BAS 05014470 (CAS 459155-30-7), with molecular formula C14H11ClFN3O4 and molecular weight 339.04 g/mol. IUPAC: ethyl 5-(4-chloro-3-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 05014470
Property Insights of BAS 05014470
The XLogP value of 0.8594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05014470. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05014470. Following Lipinski's Rule of Five, BAS 05014470 has 1 hydrogen bond donor(s) and 6 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 BAS 05014470?
The CAS number of BAS 05014470 is 459155-30-7.
What is the molecular formula of BAS 05014470?
The molecular formula of BAS 05014470 is C14H11ClFN3O4.
What is the molecular weight of BAS 05014470?
The molecular weight of BAS 05014470 is 339.04 g/mol.
Where can I buy BAS 05014470?
You can request a quote for BAS 05014470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05014470?
Yes, KEHONG BIO provides custom synthesis services for BAS 05014470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.