α-苄基-α-溴代丙二腈
TL;DR: α-苄基-α-溴代丙二腈 (CAS 1867-33-0) is a chemical compound with molecular formula C10H7BrN2 and molecular weight 233.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-苄基-α-溴代丙二腈
2-[bromo(phenyl)methyl]propanedinitrile
Also Known As: Benzylbromomalononitrile, Benzyl-brom-malonitril, BBMD, Benzyl-brom-malononitril, alpha-Benzyl-alpha-bromomalodinitrile
| Molecular Formula | C10H7BrN2 |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.97926 |
| Heavy Atoms | 13 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 1867-33-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(C#N)C#N)Br |
| InChIKey | KNXSYQMLFMHKLE-UHFFFAOYSA-N |
Product Overview
α-苄基-α-溴代丙二腈 (CAS 1867-33-0), with molecular formula C10H7BrN2 and molecular weight 233.98 g/mol. IUPAC: 2-[bromo(phenyl)methyl]propanedinitrile.
Chemical Property Profile of α-苄基-α-溴代丙二腈
Property Insights of α-苄基-α-溴代丙二腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-苄基-α-溴代丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, α-苄基-α-溴代丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-苄基-α-溴代丙二腈 has 0 hydrogen bond donor(s) and 2 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 α-苄基-α-溴代丙二腈?
The CAS number of α-苄基-α-溴代丙二腈 is 1867-33-0.
What is the molecular formula of α-苄基-α-溴代丙二腈?
The molecular formula of α-苄基-α-溴代丙二腈 is C10H7BrN2.
What is the molecular weight of α-苄基-α-溴代丙二腈?
The molecular weight of α-苄基-α-溴代丙二腈 is 233.98 g/mol.
Where can I buy α-苄基-α-溴代丙二腈?
You can request a quote for α-苄基-α-溴代丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-苄基-α-溴代丙二腈?
Yes, KEHONG BIO provides custom synthesis services for α-苄基-α-溴代丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.