Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-
TL;DR: Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)- (CAS 61759-61-3) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(1E)-buta-1,3-dienyl]carbamate
Also Known As: Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-, ethyl N-[(1E)-buta-1,3-dienyl]carbamate, J1.260.024K, [(1E)-1,3-Butadienyl]carbamic acid ethyl ester, ETHYL N-[(1E)-BUTA-1,3-DIEN-1-YL]CARBAMATE
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 1.4322 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 140.54153 |
Chemical Identifiers
| CAS Number | 61759-61-3 |
|---|---|
| SMILES | CCOC(=O)N/C=C/C=C |
Product Overview
Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)- (CAS 61759-61-3), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: ethyl N-[(1E)-buta-1,3-dienyl]carbamate.
Chemical Property Profile of Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-
Property Insights of Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-
The XLogP value of 1.4322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-. With a topological polar surface area (TPSA) of 38.33 Ų, Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)- has 1 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 Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-?
The CAS number of Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)- is 61759-61-3.
What is the molecular formula of Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-?
The molecular formula of Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)- is C7H11NO2.
What is the molecular weight of Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-?
The molecular weight of Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)- is 141.08 g/mol.
Where can I buy Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-?
You can request a quote for Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.