1,1-二氯乙烯;丙-2-烯腈
TL;DR: 1,1-二氯乙烯;丙-2-烯腈 (CAS 99402-86-5) is a chemical compound with molecular formula C5H5Cl2N and molecular weight 148.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-二氯乙烯;丙-2-烯腈
1,1-dichloroethene;prop-2-enenitrile
Also Known As: 1,1-dichloroethene;prop-2-enenitrile, 2-Propenenitrile, polymer with 1,1-dichloroethene, (C3-H3-N.C2-H2-Cl2)x-, 1,1-dichloroethene; prop-2-enenitrile, 1,1-dichloroethylene; prop-2-enenitrile
| Molecular Formula | C5H5Cl2N |
|---|---|
| Molecular Weight | 148.98 g/mol |
| LogP | 2.63118 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.9799 |
| Heavy Atoms | 8 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 99402-86-5 |
|---|---|
| SMILES | C=CC#N.C=C(Cl)Cl |
| InChIKey | QLUXVUVEVXYICG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-二氯乙烯;丙-2-烯腈 (CAS 99402-86-5), with molecular formula C5H5Cl2N and molecular weight 148.98 g/mol. IUPAC: 1,1-dichloroethene;prop-2-enenitrile.
Chemical Property Profile of 1,1-二氯乙烯;丙-2-烯腈
Property Insights of 1,1-二氯乙烯;丙-2-烯腈
The XLogP value of 2.63118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-二氯乙烯;丙-2-烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 1,1-二氯乙烯;丙-2-烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-二氯乙烯;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 1,1-二氯乙烯;丙-2-烯腈?
The CAS number of 1,1-二氯乙烯;丙-2-烯腈 is 99402-86-5.
What is the molecular formula of 1,1-二氯乙烯;丙-2-烯腈?
The molecular formula of 1,1-二氯乙烯;丙-2-烯腈 is C5H5Cl2N.
What is the molecular weight of 1,1-二氯乙烯;丙-2-烯腈?
The molecular weight of 1,1-二氯乙烯;丙-2-烯腈 is 148.98 g/mol.
Where can I buy 1,1-二氯乙烯;丙-2-烯腈?
You can request a quote for 1,1-二氯乙烯;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 1,1-二氯乙烯;丙-2-烯腈?
Yes, KEHONG BIO provides custom synthesis services for 1,1-二氯乙烯;丙-2-烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.