Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile
TL;DR: Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile (CAS 57693-55-7) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile
Also Known As: (C5-H8-O3.C4-H6.C3-H3-N)x-, 1,3-Butadiene, 2-hydroxyethyl 2-propenoate, 2-propenenitrile polymer, 2-Propenoic acid, 2-hydroxyethyl ester, polymer with 1,3-butadiene and 2-propenenitrile, buta-1,3-diene; 2-hydroxyethyl prop-2-enoate; prop-2-enenitrile
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.76228 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 57693-55-7 |
|---|---|
| SMILES | C=CC=C.C=CC#N.C=CC(=O)OCCO |
| InChIKey | DNLKZUOZZHSZFQ-UHFFFAOYSA-N |
Product Overview
Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile (CAS 57693-55-7), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile.
Chemical Property Profile of Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile
Property Insights of Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile
The XLogP value of 1.76228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile. Following Lipinski's Rule of Five, Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile has 1 hydrogen bond donor(s) and 4 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 Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile?
The CAS number of Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile is 57693-55-7.
What is the molecular formula of Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile?
The molecular formula of Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile is C12H17NO3.
What is the molecular weight of Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile?
The molecular weight of Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile is 223.12 g/mol.
Where can I buy Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile?
You can request a quote for Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for Buta-1,3-diene;2-hydroxyethyl prop-2-enoate;prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.