Buta-1,3-diene;oxirane;prop-2-enenitrile
TL;DR: Buta-1,3-diene;oxirane;prop-2-enenitrile (CAS 71243-89-5) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-diene;oxirane;prop-2-enenitrile
Also Known As: Buta-1,3-diene; Oxirane; Prop-2-enenitrile, (C4-H6.C3-H3-N.C2-H4-O)x-, 2-Propenenitrile, polymer with 1,3-butadiene, 3-carboxy-1-cyano-1-methylpropyl-terminated, ethoxylated, 2-Propenenitrile, polymer with 1,3-butadiene, 3-carboxy-1-cyano-1-methylpropyl terminated, ethoxylated
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 2.07098 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 71243-89-5 |
|---|---|
| SMILES | C=CC=C.C=CC#N.C1CO1 |
| InChIKey | UGZKITOTRVKVFH-UHFFFAOYSA-N |
Product Overview
Buta-1,3-diene;oxirane;prop-2-enenitrile (CAS 71243-89-5), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: buta-1,3-diene;oxirane;prop-2-enenitrile.
Chemical Property Profile of Buta-1,3-diene;oxirane;prop-2-enenitrile
Property Insights of Buta-1,3-diene;oxirane;prop-2-enenitrile
The XLogP value of 2.07098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Buta-1,3-diene;oxirane;prop-2-enenitrile. With a topological polar surface area (TPSA) of 36.3 Ų, Buta-1,3-diene;oxirane;prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Buta-1,3-diene;oxirane;prop-2-enenitrile has 0 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 Buta-1,3-diene;oxirane;prop-2-enenitrile?
The CAS number of Buta-1,3-diene;oxirane;prop-2-enenitrile is 71243-89-5.
What is the molecular formula of Buta-1,3-diene;oxirane;prop-2-enenitrile?
The molecular formula of Buta-1,3-diene;oxirane;prop-2-enenitrile is C9H13NO.
What is the molecular weight of Buta-1,3-diene;oxirane;prop-2-enenitrile?
The molecular weight of Buta-1,3-diene;oxirane;prop-2-enenitrile is 151.10 g/mol.
Where can I buy Buta-1,3-diene;oxirane;prop-2-enenitrile?
You can request a quote for Buta-1,3-diene;oxirane;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;oxirane;prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for Buta-1,3-diene;oxirane;prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.