2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)-
TL;DR: 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)- (CAS 72569-97-2) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-acetamidobut-2-enoate
Also Known As: methyl (Z)-3-acetamidobut-2-enoate, Amlodipine Impurity N18, methyl 3-acetaminocrotonate, Z-Methyl b-N-acetamidobutenoate, 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)-
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 0.1993 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 195.86237 |
Chemical Identifiers
| CAS Number | 72569-97-2 |
|---|---|
| SMILES | C/C(=C/C(=O)OC)/NC(=O)C |
Product Overview
2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)- (CAS 72569-97-2), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: methyl (Z)-3-acetamidobut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)-
Property Insights of 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)-
The XLogP value of 0.1993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)-. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)- 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, 3-(acetylamino)-, methyl ester, (2Z)-?
The CAS number of 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)- is 72569-97-2.
What is the molecular formula of 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)-?
The molecular formula of 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)- is C7H11NO3.
What is the molecular weight of 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)-?
The molecular weight of 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)- is 157.07 g/mol.
Where can I buy 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)-?
You can request a quote for 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)- 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, 3-(acetylamino)-, methyl ester, (2Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.