2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-
TL;DR: 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)- (CAS 69188-40-5) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid
Also Known As: (Z)-2-Angeloyloxymethyl-2-butenoic, Compound NP-007133, 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-, (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid, HY-N10814
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.5267 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 286.49713 |
Chemical Identifiers
| CAS Number | 69188-40-5 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)OC/C(=C/C)/C(=O)O |
Product Overview
2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)- (CAS 69188-40-5), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid.
Chemical Property Profile of 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-
Property Insights of 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-
The XLogP value of 1.5267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)- has 1 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-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-?
The CAS number of 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)- is 69188-40-5.
What is the molecular formula of 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-?
The molecular formula of 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)- is C10H14O4.
What is the molecular weight of 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-?
The molecular weight of 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)- is 198.09 g/mol.
Where can I buy 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-?
You can request a quote for 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.