BAS 08768430
TL;DR: BAS 08768430 (CAS 956352-19-5) is a chemical compound with molecular formula C13H9ClFN3O4 and molecular weight 325.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-chloro-3-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 08768430, methyl 5-(4-chloro-3-fluorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, A3563/0151138, methyl 5-(4-chloro-3-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C13H9ClFN3O4 |
|---|---|
| Molecular Weight | 325.03 g/mol |
| LogP | 0.4693 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.02655 |
| Heavy Atoms | 22 |
| Complexity | 735.9954 |
Chemical Identifiers
| CAS Number | 956352-19-5 |
|---|---|
| SMILES | COC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)F |
Product Overview
BAS 08768430 (CAS 956352-19-5), with molecular formula C13H9ClFN3O4 and molecular weight 325.03 g/mol. IUPAC: methyl 5-(4-chloro-3-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 08768430
Property Insights of BAS 08768430
The XLogP value of 0.4693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08768430. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08768430. Following Lipinski's Rule of Five, BAS 08768430 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 08768430?
The CAS number of BAS 08768430 is 956352-19-5.
What is the molecular formula of BAS 08768430?
The molecular formula of BAS 08768430 is C13H9ClFN3O4.
What is the molecular weight of BAS 08768430?
The molecular weight of BAS 08768430 is 325.03 g/mol.
Where can I buy BAS 08768430?
You can request a quote for BAS 08768430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08768430?
Yes, KEHONG BIO provides custom synthesis services for BAS 08768430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.