BAS 03427870
TL;DR: BAS 03427870 (CAS 439947-04-3) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-2-oxoacetyl]amino]benzoate
Also Known As: BAS 03427870, ethyl 4-(2-((isochroman-1-ylmethyl)amino)-2-oxoacetamido)benzoate, 4-[(Isochroman-1-ylmethyl)-aminooxalyl]-amino)-benzoic acid ethyl ester, ethyl 4-({[(3,4-dihydro-1H-isochromen-1-ylmethyl)amino](oxo)acetyl}amino)benzoate, ethyl 4-[[2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-2-oxoacetyl]amino]benzoate
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 2.232 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 863.3546 |
Chemical Identifiers
| CAS Number | 439947-04-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2C3=CC=CC=C3CCO2 |
Product Overview
BAS 03427870 (CAS 439947-04-3), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: ethyl 4-[[2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-2-oxoacetyl]amino]benzoate.
Chemical Property Profile of BAS 03427870
Property Insights of BAS 03427870
The XLogP value of 2.232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03427870. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03427870. Following Lipinski's Rule of Five, BAS 03427870 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 03427870?
The CAS number of BAS 03427870 is 439947-04-3.
What is the molecular formula of BAS 03427870?
The molecular formula of BAS 03427870 is C21H22N2O5.
What is the molecular weight of BAS 03427870?
The molecular weight of BAS 03427870 is 382.15 g/mol.
Where can I buy BAS 03427870?
You can request a quote for BAS 03427870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03427870?
Yes, KEHONG BIO provides custom synthesis services for BAS 03427870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.