BAS 00610339
TL;DR: BAS 00610339 (CAS 342431-53-2) is a chemical compound with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(3,4-dimethylphenyl)-6a-methyl-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 00610339, A2122/0089072, methyl 5-(3,4-dimethylphenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(3,4-dimethylphenyl)-6a-methyl-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate, METHYL 5-(3,4-DIMETHYLPHENYL)-6A-METHYL-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE
| Molecular Formula | C16H17N3O4 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 0.68374 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.12192 |
| Heavy Atoms | 23 |
| Complexity | 770.58887 |
Chemical Identifiers
| CAS Number | 342431-53-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3C(=NNC3(C2=O)C)C(=O)OC)C |
Product Overview
BAS 00610339 (CAS 342431-53-2), with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol. IUPAC: methyl 5-(3,4-dimethylphenyl)-6a-methyl-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 00610339
Property Insights of BAS 00610339
The XLogP value of 0.68374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00610339. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00610339. Following Lipinski's Rule of Five, BAS 00610339 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 00610339?
The CAS number of BAS 00610339 is 342431-53-2.
What is the molecular formula of BAS 00610339?
The molecular formula of BAS 00610339 is C16H17N3O4.
What is the molecular weight of BAS 00610339?
The molecular weight of BAS 00610339 is 315.12 g/mol.
Where can I buy BAS 00610339?
You can request a quote for BAS 00610339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00610339?
Yes, KEHONG BIO provides custom synthesis services for BAS 00610339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.