BAS 07804465
TL;DR: BAS 07804465 (CAS 956352-13-9) is a chemical compound with molecular formula C17H17N3O5 and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-acetyl-5-(3,5-dimethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 07804465, methyl 1-acetyl-5-(3,5-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 1-acetyl-5-(3,5-dimethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 3-acetyl-5-(3,5-dimethylphenyl)-4,6-dioxo-3,5,3a,6a-tetrahydro-2,3,5-tr iazapentalenecarboxylate
| Molecular Formula | C17H17N3O5 |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 0.55254 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.11682 |
| Heavy Atoms | 25 |
| Complexity | 824.4351 |
Chemical Identifiers
| CAS Number | 956352-13-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C(=O)C)C |
Product Overview
BAS 07804465 (CAS 956352-13-9), with molecular formula C17H17N3O5 and molecular weight 343.12 g/mol. IUPAC: methyl 1-acetyl-5-(3,5-dimethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 07804465
Property Insights of BAS 07804465
The XLogP value of 0.55254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07804465. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07804465. Following Lipinski's Rule of Five, BAS 07804465 has 0 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 07804465?
The CAS number of BAS 07804465 is 956352-13-9.
What is the molecular formula of BAS 07804465?
The molecular formula of BAS 07804465 is C17H17N3O5.
What is the molecular weight of BAS 07804465?
The molecular weight of BAS 07804465 is 343.12 g/mol.
Where can I buy BAS 07804465?
You can request a quote for BAS 07804465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07804465?
Yes, KEHONG BIO provides custom synthesis services for BAS 07804465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.