BAS 07804379
TL;DR: BAS 07804379 (CAS 697230-77-6) is a chemical compound with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 7-(4-ethoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Also Known As: BAS 07804379, A3617/0153338, benzyl 7-(4-ethoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, benzyl 8-(4-ethoxyphenyl)-7,9-dioxo-3,4,8-triazaspiro[4.4]non-2-ene-2-carboxylate
| Molecular Formula | C22H21N3O5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 2.1801 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.14813 |
| Heavy Atoms | 30 |
| Complexity | 1003.1929 |
Chemical Identifiers
| CAS Number | 697230-77-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)CC3(C2=O)CC(=NN3)C(=O)OCC4=CC=CC=C4 |
Product Overview
BAS 07804379 (CAS 697230-77-6), with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol. IUPAC: benzyl 7-(4-ethoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate.
Chemical Property Profile of BAS 07804379
Property Insights of BAS 07804379
The XLogP value of 2.1801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07804379. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07804379. Following Lipinski's Rule of Five, BAS 07804379 has 1 hydrogen bond donor(s) and 7 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 07804379?
The CAS number of BAS 07804379 is 697230-77-6.
What is the molecular formula of BAS 07804379?
The molecular formula of BAS 07804379 is C22H21N3O5.
What is the molecular weight of BAS 07804379?
The molecular weight of BAS 07804379 is 407.15 g/mol.
Where can I buy BAS 07804379?
You can request a quote for BAS 07804379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07804379?
Yes, KEHONG BIO provides custom synthesis services for BAS 07804379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.