BAS 00881069
TL;DR: BAS 00881069 (CAS 351336-45-3) is a chemical compound with molecular formula C20H25NO6 and molecular weight 375.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: BAS 00881069, (E)-methyl 4-(3,4-dimethoxybenzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate
| Molecular Formula | C20H25NO6 |
|---|---|
| Molecular Weight | 375.17 g/mol |
| LogP | 2.4129 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.16818 |
| Heavy Atoms | 27 |
| Complexity | 780.67664 |
Chemical Identifiers
| CAS Number | 351336-45-3 |
|---|---|
| SMILES | CC1=C(/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)N1CCCOC)C(=O)OC |
Product Overview
BAS 00881069 (CAS 351336-45-3), with molecular formula C20H25NO6 and molecular weight 375.17 g/mol. IUPAC: methyl (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of BAS 00881069
Property Insights of BAS 00881069
The XLogP value of 2.4129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00881069. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00881069. Following Lipinski's Rule of Five, BAS 00881069 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 00881069?
The CAS number of BAS 00881069 is 351336-45-3.
What is the molecular formula of BAS 00881069?
The molecular formula of BAS 00881069 is C20H25NO6.
What is the molecular weight of BAS 00881069?
The molecular weight of BAS 00881069 is 375.17 g/mol.
Where can I buy BAS 00881069?
You can request a quote for BAS 00881069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00881069?
Yes, KEHONG BIO provides custom synthesis services for BAS 00881069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.