dimethyl (2E,7E)-2,7-nonadienedioate
TL;DR: dimethyl (2E,7E)-2,7-nonadienedioate (CAS 52002-95-6) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2E,7E)-nona-2,7-dienedioate
Also Known As: dimethyl nona-2,7-dienedioate, 1,9-dimethyl nona-2,7-dienedioate, 2,7-Nonadienedioic acid dimethyl ester, 2,7-Nonadien-1,9-disaeuredimethylester, dimethyl (2E,7E)-2,7-nonadienedioate
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 1.6151 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 227.31354 |
Chemical Identifiers
| CAS Number | 52002-95-6 |
|---|---|
| SMILES | COC(=O)/C=C/CCC/C=C/C(=O)OC |
Product Overview
dimethyl (2E,7E)-2,7-nonadienedioate (CAS 52002-95-6), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: dimethyl (2E,7E)-nona-2,7-dienedioate.
Chemical Property Profile of dimethyl (2E,7E)-2,7-nonadienedioate
Property Insights of dimethyl (2E,7E)-2,7-nonadienedioate
The XLogP value of 1.6151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (2E,7E)-2,7-nonadienedioate. With a topological polar surface area (TPSA) of 52.6 Ų, dimethyl (2E,7E)-2,7-nonadienedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl (2E,7E)-2,7-nonadienedioate 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 dimethyl (2E,7E)-2,7-nonadienedioate?
The CAS number of dimethyl (2E,7E)-2,7-nonadienedioate is 52002-95-6.
What is the molecular formula of dimethyl (2E,7E)-2,7-nonadienedioate?
The molecular formula of dimethyl (2E,7E)-2,7-nonadienedioate is C11H16O4.
What is the molecular weight of dimethyl (2E,7E)-2,7-nonadienedioate?
The molecular weight of dimethyl (2E,7E)-2,7-nonadienedioate is 212.10 g/mol.
Where can I buy dimethyl (2E,7E)-2,7-nonadienedioate?
You can request a quote for dimethyl (2E,7E)-2,7-nonadienedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (2E,7E)-2,7-nonadienedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (2E,7E)-2,7-nonadienedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.