2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester
TL;DR: 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester (CAS 80487-53-2) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(diethylamino)penta-2,4-diynoate
Also Known As: methyl 5-(diethylamino)penta-2,4-diynoate, Methyl 5-diethylaminopenta-2,4-diynoate, 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester, 1H-Tetrazole-5-pentanoic acid,methyl ester, InChI=1/C10H13NO2/c1-4-11(5-2)9-7-6-8-10(12)13-3/h4-5H2,1-3H
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 0.4655 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 270.77054 |
Chemical Identifiers
| CAS Number | 80487-53-2 |
|---|---|
| SMILES | CCN(CC)C#CC#CC(=O)OC |
Product Overview
2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester (CAS 80487-53-2), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: methyl 5-(diethylamino)penta-2,4-diynoate.
Chemical Property Profile of 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester
Property Insights of 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester
The XLogP value of 0.4655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester. With a topological polar surface area (TPSA) of 29.54 Ų, 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester 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 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester?
The CAS number of 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester is 80487-53-2.
What is the molecular formula of 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester?
The molecular formula of 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester is C10H13NO2.
What is the molecular weight of 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester?
The molecular weight of 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester is 179.09 g/mol.
Where can I buy 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester?
You can request a quote for 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.