甲基二溴戊二腈
TL;DR: 甲基二溴戊二腈 (CAS 35691-65-7) is a chemical compound with molecular formula C6H6Br2N2 and molecular weight 263.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基二溴戊二腈
2-bromo-2-(bromomethyl)pentanedinitrile
Also Known As: Bromothalonil, 1,2-Dibromo-2,4-dicyanobutane, Tektamer, Methyldibromoglutaronitrile, Methyldibromo glutaronitrile
| Molecular Formula | C6H6Br2N2 |
|---|---|
| Molecular Weight | 263.89 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.88773 |
| Heavy Atoms | 10 |
| Complexity | 196.0 |
| Melting Point | 52 °C |
| Boiling Point | 212 °C |
| Density | 0.970 g/mL at 20 °C |
| Solubility | Very soluble in chloroform, ethyl acetate. Soluble in methanol, ethanol, ether. |
| Vapor Pressure | 0.00025 [mmHg] |
Chemical Identifiers
| CAS Number | 35691-65-7 |
|---|---|
| SMILES | C(CC(CBr)(C#N)Br)C#N |
| InChIKey | DHVLDKHFGIVEIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基二溴戊二腈 (CAS 35691-65-7), with molecular formula C6H6Br2N2 and molecular weight 263.89 g/mol. IUPAC: 2-bromo-2-(bromomethyl)pentanedinitrile.
Chemical Property Profile of 甲基二溴戊二腈
Property Insights of 甲基二溴戊二腈
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基二溴戊二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 甲基二溴戊二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基二溴戊二腈 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 甲基二溴戊二腈?
The CAS number of 甲基二溴戊二腈 is 35691-65-7.
What is the molecular formula of 甲基二溴戊二腈?
The molecular formula of 甲基二溴戊二腈 is C6H6Br2N2.
What is the molecular weight of 甲基二溴戊二腈?
The molecular weight of 甲基二溴戊二腈 is 263.89 g/mol.
Where can I buy 甲基二溴戊二腈?
You can request a quote for 甲基二溴戊二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基二溴戊二腈?
Yes, KEHONG BIO provides custom synthesis services for 甲基二溴戊二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.