A3944/0167954
TL;DR: A3944/0167954 (CAS 889967-66-2) is a chemical compound with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylate
Also Known As: A3944/0167954, ethyl 4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylate, ethyl 4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate, ETHYL 4-(2H-1,3-BENZODIOXOL-5-YL)-5-CYANO-2-METHYL-6-(1H-PYRROL-1-YL)-4H-PYRAN-3-CARBOXYLATE, ethyl 4-(benzo[d][1,3]dioxol-5-yl)-5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
| Molecular Formula | C21H18N2O5 |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 3.56008 |
| Topological Polar Surface Area | 82.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.12158 |
| Heavy Atoms | 28 |
| Complexity | 1027.5605 |
Chemical Identifiers
| CAS Number | 889967-66-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2)OCO3)C#N)N4C=CC=C4)C |
Product Overview
A3944/0167954 (CAS 889967-66-2), with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol. IUPAC: ethyl 4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylate.
Chemical Property Profile of A3944/0167954
Property Insights of A3944/0167954
The XLogP value of 3.56008 indicates that A3944/0167954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.71 Ų falls within the moderate polarity range, balancing permeability and solubility for A3944/0167954. Following Lipinski's Rule of Five, A3944/0167954 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 A3944/0167954?
The CAS number of A3944/0167954 is 889967-66-2.
What is the molecular formula of A3944/0167954?
The molecular formula of A3944/0167954 is C21H18N2O5.
What is the molecular weight of A3944/0167954?
The molecular weight of A3944/0167954 is 378.12 g/mol.
Where can I buy A3944/0167954?
You can request a quote for A3944/0167954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3944/0167954?
Yes, KEHONG BIO provides custom synthesis services for A3944/0167954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.