3,5-二溴-4-羟基苯亚甲基丙二腈
TL;DR: 3,5-二溴-4-羟基苯亚甲基丙二腈 (CAS 31558-41-5) is a chemical compound with molecular formula C10H4Br2N2O and molecular weight 325.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二溴-4-羟基苯亚甲基丙二腈
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]propanedinitrile
Also Known As: DBHBM, (3,5-dibromo-4-hydroxybenzylidene)propanedinitrile, 3,5-Dibromo-4-hydroxybenzylidenemalonitrile, 2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]propanedinitrile, 3,5-Dibromo-4-hydroxy-benzylidenemalonitrile
| Molecular Formula | C10H4Br2N2O |
|---|---|
| Molecular Weight | 325.87 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.86905 |
| Heavy Atoms | 15 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 31558-41-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)O)Br)C=C(C#N)C#N |
| InChIKey | TZWVYXKBAATBPU-UHFFFAOYSA-N |
Product Overview
3,5-二溴-4-羟基苯亚甲基丙二腈 (CAS 31558-41-5), with molecular formula C10H4Br2N2O and molecular weight 325.87 g/mol. IUPAC: 2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 3,5-二溴-4-羟基苯亚甲基丙二腈
Property Insights of 3,5-二溴-4-羟基苯亚甲基丙二腈
The XLogP value of 3.0 indicates that 3,5-二溴-4-羟基苯亚甲基丙二腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-二溴-4-羟基苯亚甲基丙二腈. Following Lipinski's Rule of Five, 3,5-二溴-4-羟基苯亚甲基丙二腈 has 1 hydrogen bond donor(s) and 3 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 3,5-二溴-4-羟基苯亚甲基丙二腈?
The CAS number of 3,5-二溴-4-羟基苯亚甲基丙二腈 is 31558-41-5.
What is the molecular formula of 3,5-二溴-4-羟基苯亚甲基丙二腈?
The molecular formula of 3,5-二溴-4-羟基苯亚甲基丙二腈 is C10H4Br2N2O.
What is the molecular weight of 3,5-二溴-4-羟基苯亚甲基丙二腈?
The molecular weight of 3,5-二溴-4-羟基苯亚甲基丙二腈 is 325.87 g/mol.
Where can I buy 3,5-二溴-4-羟基苯亚甲基丙二腈?
You can request a quote for 3,5-二溴-4-羟基苯亚甲基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二溴-4-羟基苯亚甲基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二溴-4-羟基苯亚甲基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.