a-Methylbenzylzinc chloride
TL;DR: a-Methylbenzylzinc chloride (CAS 85459-81-0) is a chemical compound with molecular formula C20H15BrN2O3 and molecular weight 410.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[5-(4-bromophenyl)furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: a-Methylbenzylzinc chloride, BAS 02073009, AB00673998-01, AB00673998-03, 2-amino-4-(5-(4-bromophenyl)furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C20H15BrN2O3 |
|---|---|
| Molecular Weight | 410.03 g/mol |
| LogP | 4.52388 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.0266 |
| Heavy Atoms | 26 |
| Complexity | 992.8088 |
Chemical Identifiers
| CAS Number | 85459-81-0 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)C4=CC=C(C=C4)Br)C(=O)C1 |
Product Overview
a-Methylbenzylzinc chloride (CAS 85459-81-0), with molecular formula C20H15BrN2O3 and molecular weight 410.03 g/mol. IUPAC: 2-amino-4-[5-(4-bromophenyl)furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of a-Methylbenzylzinc chloride
Property Insights of a-Methylbenzylzinc chloride
The XLogP value of 4.52388 indicates that a-Methylbenzylzinc chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for a-Methylbenzylzinc chloride. Following Lipinski's Rule of Five, a-Methylbenzylzinc chloride has 1 hydrogen bond donor(s) and 5 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 a-Methylbenzylzinc chloride?
The CAS number of a-Methylbenzylzinc chloride is 85459-81-0.
What is the molecular formula of a-Methylbenzylzinc chloride?
The molecular formula of a-Methylbenzylzinc chloride is C20H15BrN2O3.
What is the molecular weight of a-Methylbenzylzinc chloride?
The molecular weight of a-Methylbenzylzinc chloride is 410.03 g/mol.
Where can I buy a-Methylbenzylzinc chloride?
You can request a quote for a-Methylbenzylzinc chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for a-Methylbenzylzinc chloride?
Yes, KEHONG BIO provides custom synthesis services for a-Methylbenzylzinc chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.