buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile
TL;DR: buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile (CAS 33827-49-5) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile
Also Known As: Fumaric acid, acrylonitrile, butadiene polymer, (C4-H6.C4-H4-O4.C3-H3-N)x-, 2-Butenedioic acid (2E)-, polymer with 1,3-butadiene and 2-propenenitrile, buta-1,3-diene; (E)-but-2-enedioic acid; prop-2-enenitrile, 2-Butenedioic acid (E)-, polymer with 1,3-butadiene and 2-propenenitrile
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.76618 |
| Topological Polar Surface Area | 98.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 288.43646 |
Chemical Identifiers
| CAS Number | 33827-49-5 |
|---|---|
| SMILES | C=CC=C.C=CC#N.C(=C/C(=O)O)\C(=O)O |
Product Overview
buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile (CAS 33827-49-5), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile.
Chemical Property Profile of buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile
Property Insights of buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile
The XLogP value of 1.76618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile. The TPSA of 98.39 Ų falls within the moderate polarity range, balancing permeability and solubility for buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile. Following Lipinski's Rule of Five, buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile has 2 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 buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile?
The CAS number of buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile is 33827-49-5.
What is the molecular formula of buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile?
The molecular formula of buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile is C11H13NO4.
What is the molecular weight of buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile?
The molecular weight of buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile is 223.08 g/mol.
Where can I buy buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile?
You can request a quote for buta-1,3-diene;(E)-but-2-enedioic acid;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;(E)-but-2-enedioic acid;prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for buta-1,3-diene;(E)-but-2-enedioic acid;prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.