methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate
TL;DR: methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate (CAS 362608-36-4) is a chemical compound with molecular formula C12H10BrNO3 and molecular weight 294.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate
Also Known As: CHEMBRDG-BB 5579244, J3.278.327I, methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate, methyl 3-(5-bromo-2-methoxyphenyl)-2-cyanoacrylate, methyl 3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate
| Molecular Formula | C12H10BrNO3 |
|---|---|
| Molecular Weight | 294.98 g/mol |
| LogP | 2.53768 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.9844 |
| Heavy Atoms | 17 |
| Complexity | 502.96246 |
Chemical Identifiers
| CAS Number | 362608-36-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=C(/C#N)\C(=O)OC |
Product Overview
methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate (CAS 362608-36-4), with molecular formula C12H10BrNO3 and molecular weight 294.98 g/mol. IUPAC: methyl (Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate.
Chemical Property Profile of methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate
Property Insights of methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate
The XLogP value of 2.53768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate. With a topological polar surface area (TPSA) of 59.32 Ų, methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate has 0 hydrogen bond donor(s) and 4 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 methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate?
The CAS number of methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate is 362608-36-4.
What is the molecular formula of methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate?
The molecular formula of methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate is C12H10BrNO3.
What is the molecular weight of methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate?
The molecular weight of methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate is 294.98 g/mol.
Where can I buy methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate?
You can request a quote for methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.