丁-1,3-二烯;丙-2-烯腈
TL;DR: 丁-1,3-二烯;丙-2-烯腈 (CAS 88254-10-8) is a chemical compound with molecular formula C7H9N and molecular weight 107.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁-1,3-二烯;丙-2-烯腈
buta-1,3-diene;prop-2-enenitrile
Also Known As: butadiene acrylonitrile, butadiene-acrylonitrile, buta-1,3-diene;prop-2-enenitrile, Poly(acrylonitrile-co-butadiene), buta-1,3-diene; prop-2-enenitrile
| Molecular Formula | C7H9N |
|---|---|
| Molecular Weight | 107.07 g/mol |
| LogP | 2.05438 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 107.0735 |
| Heavy Atoms | 8 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 88254-10-8 |
|---|---|
| SMILES | C=CC=C.C=CC#N |
| InChIKey | NTXGQCSETZTARF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁-1,3-二烯;丙-2-烯腈 (CAS 88254-10-8), with molecular formula C7H9N and molecular weight 107.07 g/mol. IUPAC: buta-1,3-diene;prop-2-enenitrile.
Chemical Property Profile of 丁-1,3-二烯;丙-2-烯腈
Property Insights of 丁-1,3-二烯;丙-2-烯腈
The XLogP value of 2.05438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁-1,3-二烯;丙-2-烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 丁-1,3-二烯;丙-2-烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁-1,3-二烯;丙-2-烯腈 has 0 hydrogen bond donor(s) and 1 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 丁-1,3-二烯;丙-2-烯腈?
The CAS number of 丁-1,3-二烯;丙-2-烯腈 is 88254-10-8.
What is the molecular formula of 丁-1,3-二烯;丙-2-烯腈?
The molecular formula of 丁-1,3-二烯;丙-2-烯腈 is C7H9N.
What is the molecular weight of 丁-1,3-二烯;丙-2-烯腈?
The molecular weight of 丁-1,3-二烯;丙-2-烯腈 is 107.07 g/mol.
Where can I buy 丁-1,3-二烯;丙-2-烯腈?
You can request a quote for 丁-1,3-二烯;丙-2-烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁-1,3-二烯;丙-2-烯腈?
Yes, KEHONG BIO provides custom synthesis services for 丁-1,3-二烯;丙-2-烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.