2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)-
TL;DR: 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)- (CAS 36976-65-5) is a chemical compound with molecular formula C10H17BrO2 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-(bromomethyl)-4,4-dimethylpent-2-enoate
Also Known As: ethyl (Z)-3-(bromomethyl)-4,4-dimethylpent-2-enoate, (Z)-3-(Bromomethyl)-4,4-dimethyl-2-pentenoic acid ethyl ester, Ethyl (2Z)-3-(bromomethyl)-4,4-dimethyl-2-pentenoate, ethyl (2Z)-3-(bromomethyl)-4,4-dimethylpent-2-enoate, 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)-
| Molecular Formula | C10H17BrO2 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 2.9169 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.04118 |
| Heavy Atoms | 13 |
| Complexity | 201.46051 |
Chemical Identifiers
| CAS Number | 36976-65-5 |
|---|---|
| SMILES | CCOC(=O)/C=C(\CBr)/C(C)(C)C |
Product Overview
2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)- (CAS 36976-65-5), with molecular formula C10H17BrO2 and molecular weight 248.04 g/mol. IUPAC: ethyl (Z)-3-(bromomethyl)-4,4-dimethylpent-2-enoate.
Chemical Property Profile of 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)-
Property Insights of 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)-
The XLogP value of 2.9169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)- 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 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)-?
The CAS number of 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)- is 36976-65-5.
What is the molecular formula of 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)-?
The molecular formula of 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)- is C10H17BrO2.
What is the molecular weight of 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)-?
The molecular weight of 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)- is 248.04 g/mol.
Where can I buy 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)-?
You can request a quote for 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentenoic acid, 3-(bromomethyl)-4,4-dimethyl-, ethyl ester, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.