Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester
TL;DR: Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester (CAS 101952-45-8) is a chemical compound with molecular formula C12H17NO5 and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-4-oxobut-2-enoate
Also Known As: 3-((5,5-Dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)acrylic acid ethyl ester, ACRYLIC ACID, 3-((5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURYL)CARBAMOYL)-, ETHYL ESTER, ethyl 3-[(5,5-dimethyl-2-oxooxolan-3-yl)carbamoyl]prop-2-enoate, ethyl (E)-4-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-4-oxobut-2-enoate, 3-[N-(Tetrahydro-5,5-dimethyl-2-oxofuran-3-yl)carbamoyl]acrylic acid ethyl ester
| Molecular Formula | C12H17NO5 |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 0.316 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.11067 |
| Heavy Atoms | 18 |
| Complexity | 385.92902 |
Chemical Identifiers
| CAS Number | 101952-45-8 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1CC(OC1=O)(C)C |
Product Overview
Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester (CAS 101952-45-8), with molecular formula C12H17NO5 and molecular weight 255.11 g/mol. IUPAC: ethyl (E)-4-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-4-oxobut-2-enoate.
Chemical Property Profile of Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester
Property Insights of Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester
The XLogP value of 0.316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester. Following Lipinski's Rule of Five, Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester has 1 hydrogen bond donor(s) and 5 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 Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester?
The CAS number of Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester is 101952-45-8.
What is the molecular formula of Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester?
The molecular formula of Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester is C12H17NO5.
What is the molecular weight of Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester?
The molecular weight of Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester is 255.11 g/mol.
Where can I buy Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester?
You can request a quote for Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.