4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid
TL;DR: 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid (CAS 135449-71-7) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(cyclopropylmethylamino)-4-oxobut-2-enoic acid
Also Known As: Maybridge3_005787, N-methylcyclopropyl maleamic acid, 4-(cyclopropylmethylamino)-4-oxobut-2-enoic acid, 4-[(cyclopropylmethyl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 0.1534 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 218.34286 |
Chemical Identifiers
| CAS Number | 135449-71-7 |
|---|---|
| SMILES | C1CC1CNC(=O)C=CC(=O)O |
Product Overview
4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid (CAS 135449-71-7), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: 4-(cyclopropylmethylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid
Property Insights of 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid
The XLogP value of 0.1534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid has 2 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 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid?
The CAS number of 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid is 135449-71-7.
What is the molecular formula of 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid is C8H11NO3.
What is the molecular weight of 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid is 169.07 g/mol.
Where can I buy 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Cyclopropylmethylamino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.