BAS 01201780
TL;DR: BAS 01201780 (CAS 499192-87-9) is a chemical compound with molecular formula C16H15N3O6 and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(5-acetyl-2-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 01201780, methyl 5-(5-acetyl-2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(5-acetyl-2-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C16H15N3O6 |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | -0.112 |
| Topological Polar Surface Area | 114.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.0961 |
| Heavy Atoms | 25 |
| Complexity | 831.159 |
Chemical Identifiers
| CAS Number | 499192-87-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)N2C(=O)C3C(C2=O)NN=C3C(=O)OC |
Product Overview
BAS 01201780 (CAS 499192-87-9), with molecular formula C16H15N3O6 and molecular weight 345.10 g/mol. IUPAC: methyl 5-(5-acetyl-2-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 01201780
Property Insights of BAS 01201780
The XLogP value of -0.112 indicates that BAS 01201780 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01201780. Following Lipinski's Rule of Five, BAS 01201780 has 1 hydrogen bond donor(s) and 8 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 01201780?
The CAS number of BAS 01201780 is 499192-87-9.
What is the molecular formula of BAS 01201780?
The molecular formula of BAS 01201780 is C16H15N3O6.
What is the molecular weight of BAS 01201780?
The molecular weight of BAS 01201780 is 345.10 g/mol.
Where can I buy BAS 01201780?
You can request a quote for BAS 01201780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01201780?
Yes, KEHONG BIO provides custom synthesis services for BAS 01201780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.