4-乙酰氧基-3,5-二溴苯甲腈
TL;DR: 4-乙酰氧基-3,5-二溴苯甲腈 (CAS 2315-84-6) is a chemical compound with molecular formula C9H5Br2NO2 and molecular weight 316.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙酰氧基-3,5-二溴苯甲腈
(2,6-dibromo-4-cyanophenyl) acetate
Also Known As: 4-Acetoxy-3,5-dibromobenzonitrile, 2,6-dibromo-4-cyanophenyl acetate, 4-Acetyloxy-3,5-dibromobenzonitrile, (2,6-dibromo-4-cyanophenyl) acetate, 4-(Acetyloxy)-3,5-dibromobenzonitrile
| Molecular Formula | C9H5Br2NO2 |
|---|---|
| Molecular Weight | 316.87 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.86664 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 2315-84-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1Br)C#N)Br |
| InChIKey | FZCAJMPJPVJNPB-UHFFFAOYSA-N |
Product Overview
4-乙酰氧基-3,5-二溴苯甲腈 (CAS 2315-84-6), with molecular formula C9H5Br2NO2 and molecular weight 316.87 g/mol. IUPAC: (2,6-dibromo-4-cyanophenyl) acetate.
Chemical Property Profile of 4-乙酰氧基-3,5-二溴苯甲腈
Property Insights of 4-乙酰氧基-3,5-二溴苯甲腈
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙酰氧基-3,5-二溴苯甲腈. With a topological polar surface area (TPSA) of 50.1 Ų, 4-乙酰氧基-3,5-二溴苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙酰氧基-3,5-二溴苯甲腈 has 0 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 4-乙酰氧基-3,5-二溴苯甲腈?
The CAS number of 4-乙酰氧基-3,5-二溴苯甲腈 is 2315-84-6.
What is the molecular formula of 4-乙酰氧基-3,5-二溴苯甲腈?
The molecular formula of 4-乙酰氧基-3,5-二溴苯甲腈 is C9H5Br2NO2.
What is the molecular weight of 4-乙酰氧基-3,5-二溴苯甲腈?
The molecular weight of 4-乙酰氧基-3,5-二溴苯甲腈 is 316.87 g/mol.
Where can I buy 4-乙酰氧基-3,5-二溴苯甲腈?
You can request a quote for 4-乙酰氧基-3,5-二溴苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙酰氧基-3,5-二溴苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-乙酰氧基-3,5-二溴苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.