BAS 00805042
TL;DR: BAS 00805042 (CAS 332022-17-0) is a chemical compound with molecular formula C15H15NO6 and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
Also Known As: BAS 00805042, 2-(3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid, [3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid, 2-[3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
| Molecular Formula | C15H15NO6 |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 1.0642 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.08994 |
| Heavy Atoms | 22 |
| Complexity | 661.1152 |
Chemical Identifiers
| CAS Number | 332022-17-0 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)CC(=O)O)O |
Product Overview
BAS 00805042 (CAS 332022-17-0), with molecular formula C15H15NO6 and molecular weight 305.09 g/mol. IUPAC: 2-[3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid.
Chemical Property Profile of BAS 00805042
Property Insights of BAS 00805042
The XLogP value of 1.0642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00805042. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00805042. Following Lipinski's Rule of Five, BAS 00805042 has 2 hydrogen bond donor(s) and 5 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 00805042?
The CAS number of BAS 00805042 is 332022-17-0.
What is the molecular formula of BAS 00805042?
The molecular formula of BAS 00805042 is C15H15NO6.
What is the molecular weight of BAS 00805042?
The molecular weight of BAS 00805042 is 305.09 g/mol.
Where can I buy BAS 00805042?
You can request a quote for BAS 00805042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00805042?
Yes, KEHONG BIO provides custom synthesis services for BAS 00805042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.