Isopropyl3-aminocrotonate
TL;DR: Isopropyl3-aminocrotonate (CAS 14205-46-0) is a chemical compound with molecular formula C7H13NO2 and molecular weight 143.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-aminobut-2-enoate
Also Known As: Isopropyl 3-aminocrotonate, Isopropyl3-aminocrotonate, Nimodipine impurity 28, Isopropyl 3-aminobut-2-enoate, Isopropyl 3-Amino-2-butenoate
| Molecular Formula | C7H13NO2 |
|---|---|
| Molecular Weight | 143.09 g/mol |
| LogP | 0.8005 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.09464 |
| Heavy Atoms | 10 |
| Complexity | 145.68509 |
Chemical Identifiers
| CAS Number | 14205-46-0 |
|---|---|
| SMILES | CC(C)OC(=O)C=C(C)N |
Product Overview
Isopropyl3-aminocrotonate (CAS 14205-46-0), with molecular formula C7H13NO2 and molecular weight 143.09 g/mol. IUPAC: propan-2-yl 3-aminobut-2-enoate.
Chemical Property Profile of Isopropyl3-aminocrotonate
Property Insights of Isopropyl3-aminocrotonate
The XLogP value of 0.8005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl3-aminocrotonate. With a topological polar surface area (TPSA) of 52.32 Ų, Isopropyl3-aminocrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl3-aminocrotonate 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 Isopropyl3-aminocrotonate?
The CAS number of Isopropyl3-aminocrotonate is 14205-46-0.
What is the molecular formula of Isopropyl3-aminocrotonate?
The molecular formula of Isopropyl3-aminocrotonate is C7H13NO2.
What is the molecular weight of Isopropyl3-aminocrotonate?
The molecular weight of Isopropyl3-aminocrotonate is 143.09 g/mol.
Where can I buy Isopropyl3-aminocrotonate?
You can request a quote for Isopropyl3-aminocrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl3-aminocrotonate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl3-aminocrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.