BAS 00881071
TL;DR: BAS 00881071 (CAS 333431-74-6) is a chemical compound with molecular formula C19H23NO6 and molecular weight 361.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: BAS 00881071, AB00092647-01, (Z)-methyl 4-(4-hydroxy-3-methoxybenzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate, methyl (4Z)-4-(4-hydroxy-3-methoxybenzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C19H23NO6 |
|---|---|
| Molecular Weight | 361.15 g/mol |
| LogP | 2.1099 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.15253 |
| Heavy Atoms | 26 |
| Complexity | 765.2929 |
Chemical Identifiers
| CAS Number | 333431-74-6 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC(=C(C=C2)O)OC)/C(=O)N1CCCOC)C(=O)OC |
Product Overview
BAS 00881071 (CAS 333431-74-6), with molecular formula C19H23NO6 and molecular weight 361.15 g/mol. IUPAC: methyl (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of BAS 00881071
Property Insights of BAS 00881071
The XLogP value of 2.1099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00881071. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00881071. Following Lipinski's Rule of Five, BAS 00881071 has 1 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 00881071?
The CAS number of BAS 00881071 is 333431-74-6.
What is the molecular formula of BAS 00881071?
The molecular formula of BAS 00881071 is C19H23NO6.
What is the molecular weight of BAS 00881071?
The molecular weight of BAS 00881071 is 361.15 g/mol.
Where can I buy BAS 00881071?
You can request a quote for BAS 00881071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00881071?
Yes, KEHONG BIO provides custom synthesis services for BAS 00881071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.