BAS 01201779
TL;DR: BAS 01201779 (CAS 956785-93-6) is a chemical compound with molecular formula C13H9Cl2N3O4 and molecular weight 341.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 01201779, methyl 5-(2,4-dichlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(2,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(2,4-dichlorophenyl)-4,6-dioxo-3,5,3a,6a-tetrahydro-2,3,5-triazapenta lenecarboxylate
| Molecular Formula | C13H9Cl2N3O4 |
|---|---|
| Molecular Weight | 341.00 g/mol |
| LogP | 0.9836 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.997 |
| Heavy Atoms | 22 |
| Complexity | 733.9954 |
Chemical Identifiers
| CAS Number | 956785-93-6 |
|---|---|
| SMILES | COC(=O)C1=NNC2C1C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 01201779 (CAS 956785-93-6), with molecular formula C13H9Cl2N3O4 and molecular weight 341.00 g/mol. IUPAC: methyl 5-(2,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 01201779
Property Insights of BAS 01201779
The XLogP value of 0.9836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01201779. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01201779. Following Lipinski's Rule of Five, BAS 01201779 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 01201779?
The CAS number of BAS 01201779 is 956785-93-6.
What is the molecular formula of BAS 01201779?
The molecular formula of BAS 01201779 is C13H9Cl2N3O4.
What is the molecular weight of BAS 01201779?
The molecular weight of BAS 01201779 is 341.00 g/mol.
Where can I buy BAS 01201779?
You can request a quote for BAS 01201779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01201779?
Yes, KEHONG BIO provides custom synthesis services for BAS 01201779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.