BAS 05014509
TL;DR: BAS 05014509 (CAS 473576-91-9) is a chemical compound with molecular formula C16H15N3O5 and molecular weight 329.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-acetyl-5-(3-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 05014509, BIM-0046057.P001, AO-081/14337026, methyl 1-acetyl-5-(3-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 1-acetyl-5-(3-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C16H15N3O5 |
|---|---|
| Molecular Weight | 329.10 g/mol |
| LogP | 0.24412 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.10117 |
| Heavy Atoms | 24 |
| Complexity | 800.65753 |
Chemical Identifiers
| CAS Number | 473576-91-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C(=O)C |
Product Overview
BAS 05014509 (CAS 473576-91-9), with molecular formula C16H15N3O5 and molecular weight 329.10 g/mol. IUPAC: methyl 1-acetyl-5-(3-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 05014509
Property Insights of BAS 05014509
The XLogP value of 0.24412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05014509. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05014509. Following Lipinski's Rule of Five, BAS 05014509 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 05014509?
The CAS number of BAS 05014509 is 473576-91-9.
What is the molecular formula of BAS 05014509?
The molecular formula of BAS 05014509 is C16H15N3O5.
What is the molecular weight of BAS 05014509?
The molecular weight of BAS 05014509 is 329.10 g/mol.
Where can I buy BAS 05014509?
You can request a quote for BAS 05014509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05014509?
Yes, KEHONG BIO provides custom synthesis services for BAS 05014509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.