BAS 03065369
TL;DR: BAS 03065369 (CAS 77867-54-0) is a chemical compound with molecular formula C16H17NO5 and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-ethoxycarbonylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
Also Known As: BAS 03065369, AO-081/15043053, methyl 1-[4-(ethoxycarbonyl)phenyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 1-(4-ethoxycarbonylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate, methyl 1-(4-(ethoxycarbonyl)phenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C16H17NO5 |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.1107 |
| Heavy Atoms | 22 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 77867-54-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=C(CC2=O)C(=O)OC)C |
| InChIKey | RXZVHHLZFQTRNP-UHFFFAOYSA-N |
Product Overview
BAS 03065369 (CAS 77867-54-0), with molecular formula C16H17NO5 and molecular weight 303.11 g/mol. IUPAC: methyl 1-(4-ethoxycarbonylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.
Chemical Property Profile of BAS 03065369
Property Insights of BAS 03065369
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03065369. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03065369. Following Lipinski's Rule of Five, BAS 03065369 has 0 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 03065369?
The CAS number of BAS 03065369 is 77867-54-0.
What is the molecular formula of BAS 03065369?
The molecular formula of BAS 03065369 is C16H17NO5.
What is the molecular weight of BAS 03065369?
The molecular weight of BAS 03065369 is 303.11 g/mol.
Where can I buy BAS 03065369?
You can request a quote for BAS 03065369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03065369?
Yes, KEHONG BIO provides custom synthesis services for BAS 03065369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.