BAS 00867653
TL;DR: BAS 00867653 (CAS 332053-41-5) is a chemical compound with molecular formula C28H29N3O5 and molecular weight 487.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide
Also Known As: BAS 00867653, 2-(4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxyphenoxy)-N-phenylacetamide, 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide, 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo(4H-6,7,8-trihydrochromen-4-yl))-2-eth oxyphenoxy]-N-phenylacetamide, 2-[4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxy-phenoxy]-N-phenyl-acetamide
| Molecular Formula | C28H29N3O5 |
|---|---|
| Molecular Weight | 487.21 g/mol |
| LogP | 4.55368 |
| Topological Polar Surface Area | 123.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.21072 |
| Heavy Atoms | 36 |
| Complexity | 1288.0085 |
Chemical Identifiers
| CAS Number | 332053-41-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC(=O)NC4=CC=CC=C4 |
Product Overview
BAS 00867653 (CAS 332053-41-5), with molecular formula C28H29N3O5 and molecular weight 487.21 g/mol. IUPAC: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide.
Chemical Property Profile of BAS 00867653
Property Insights of BAS 00867653
The XLogP value of 4.55368 indicates that BAS 00867653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00867653. Following Lipinski's Rule of Five, BAS 00867653 has 2 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 00867653?
The CAS number of BAS 00867653 is 332053-41-5.
What is the molecular formula of BAS 00867653?
The molecular formula of BAS 00867653 is C28H29N3O5.
What is the molecular weight of BAS 00867653?
The molecular weight of BAS 00867653 is 487.21 g/mol.
Where can I buy BAS 00867653?
You can request a quote for BAS 00867653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00867653?
Yes, KEHONG BIO provides custom synthesis services for BAS 00867653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.