BAS 00212698
TL;DR: BAS 00212698 (CAS 129601-42-9) is a chemical compound with molecular formula C25H31N3O3 and molecular weight 421.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(diethylamino)-3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylchromen-2-one
Also Known As: BAS 00212698, 7-(diethylamino)-3-{[4-(diethylamino)-2-hydroxybenzylidene]amino}-4-methyl-2H-chromen-2-one, (E)-7-(diethylamino)-3-((4-(diethylamino)-2-hydroxybenzylidene)amino)-4-methyl-2H-chromen-2-one, 7-(diethylamino)-3-[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]-4-methylchromen-2-one, 7-(diethylamino)-3-[[(Z)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]-4-methylchromen-2-one
| Molecular Formula | C25H31N3O3 |
|---|---|
| Molecular Weight | 421.24 g/mol |
| LogP | 5.25002 |
| Topological Polar Surface Area | 69.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.23654 |
| Heavy Atoms | 31 |
| Complexity | 1142.6927 |
Chemical Identifiers
| CAS Number | 129601-42-9 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)C=NC2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=O)C)O |
Product Overview
BAS 00212698 (CAS 129601-42-9), with molecular formula C25H31N3O3 and molecular weight 421.24 g/mol. IUPAC: 7-(diethylamino)-3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylchromen-2-one.
Chemical Property Profile of BAS 00212698
Property Insights of BAS 00212698
The XLogP value of 5.25002 indicates that BAS 00212698 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00212698. Following Lipinski's Rule of Five, BAS 00212698 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00212698?
The CAS number of BAS 00212698 is 129601-42-9.
What is the molecular formula of BAS 00212698?
The molecular formula of BAS 00212698 is C25H31N3O3.
What is the molecular weight of BAS 00212698?
The molecular weight of BAS 00212698 is 421.24 g/mol.
Where can I buy BAS 00212698?
You can request a quote for BAS 00212698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00212698?
Yes, KEHONG BIO provides custom synthesis services for BAS 00212698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.