BAS 00867616
TL;DR: BAS 00867616 (CAS 332053-12-0) 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-methoxyphenoxy]-N-(4-methylphenyl)acetamide
Also Known As: BAS 00867616, 2-(4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenoxy)-N-(p-tolyl)acetamide, 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo(4H-6,7,8-trihydrochromen-4-yl))-2-met hoxyphenoxy]-N-(4-methylphenyl)acetamide, 2-[4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxy-phenoxy]-N-p-tolyl-acetamide, 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
| Molecular Formula | C28H29N3O5 |
|---|---|
| Molecular Weight | 487.21 g/mol |
| LogP | 4.472 |
| Topological Polar Surface Area | 123.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.21072 |
| Heavy Atoms | 36 |
| Complexity | 1315.6858 |
Chemical Identifiers
| CAS Number | 332053-12-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)OC |
Product Overview
BAS 00867616 (CAS 332053-12-0), 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-methoxyphenoxy]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of BAS 00867616
Property Insights of BAS 00867616
The XLogP value of 4.472 indicates that BAS 00867616 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 00867616. Following Lipinski's Rule of Five, BAS 00867616 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 00867616?
The CAS number of BAS 00867616 is 332053-12-0.
What is the molecular formula of BAS 00867616?
The molecular formula of BAS 00867616 is C28H29N3O5.
What is the molecular weight of BAS 00867616?
The molecular weight of BAS 00867616 is 487.21 g/mol.
Where can I buy BAS 00867616?
You can request a quote for BAS 00867616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00867616?
Yes, KEHONG BIO provides custom synthesis services for BAS 00867616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.