BAS 07804377
TL;DR: BAS 07804377 (CAS 697230-76-5) is a chemical compound with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 7-(3-methoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Also Known As: BAS 07804377, benzyl 7-(3-methoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, A3617/0153337, benzyl 8-(3-methoxyphenyl)-7,9-dioxo-3,4,8-triazaspiro[4.4]non-2-ene-2-carboxylate, phenylmethyl 7-(3-methoxyphenyl)-6,8-dioxo-3,4,7-triazaspiro[4.4]non-2-ene-2-c arboxylate
| Molecular Formula | C21H19N3O5 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 1.79 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.13248 |
| Heavy Atoms | 29 |
| Complexity | 1004.386 |
Chemical Identifiers
| CAS Number | 697230-76-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)CC3(C2=O)CC(=NN3)C(=O)OCC4=CC=CC=C4 |
Product Overview
BAS 07804377 (CAS 697230-76-5), with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol. IUPAC: benzyl 7-(3-methoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate.
Chemical Property Profile of BAS 07804377
Property Insights of BAS 07804377
The XLogP value of 1.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07804377. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07804377. Following Lipinski's Rule of Five, BAS 07804377 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 07804377?
The CAS number of BAS 07804377 is 697230-76-5.
What is the molecular formula of BAS 07804377?
The molecular formula of BAS 07804377 is C21H19N3O5.
What is the molecular weight of BAS 07804377?
The molecular weight of BAS 07804377 is 393.13 g/mol.
Where can I buy BAS 07804377?
You can request a quote for BAS 07804377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07804377?
Yes, KEHONG BIO provides custom synthesis services for BAS 07804377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.