3,4-Dichlorophenylcyanamide
TL;DR: 3,4-Dichlorophenylcyanamide (CAS 18995-48-7) is a chemical compound with molecular formula C7H4Cl2N2 and molecular weight 185.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl)cyanamide
Also Known As: 3,4-Dichlorophenylcyanamide, 3,4-dichlorophenyl-cyanamide, 3,4-Dichlorophenyl cyanamide, (3,4-dichlorophenyl)cyanamide, 3,4-Dichloroanilinocarbonitrile
| Molecular Formula | C7H4Cl2N2 |
|---|---|
| Molecular Weight | 185.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.97516 |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 18995-48-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC#N)Cl)Cl |
| InChIKey | VGQKZVPHFLOGTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorophenylcyanamide (CAS 18995-48-7), with molecular formula C7H4Cl2N2 and molecular weight 185.98 g/mol. IUPAC: (3,4-dichlorophenyl)cyanamide.
Chemical Property Profile of 3,4-Dichlorophenylcyanamide
Property Insights of 3,4-Dichlorophenylcyanamide
The XLogP value of 3.4 indicates that 3,4-Dichlorophenylcyanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.8 Ų, 3,4-Dichlorophenylcyanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorophenylcyanamide has 1 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 3,4-Dichlorophenylcyanamide?
The CAS number of 3,4-Dichlorophenylcyanamide is 18995-48-7.
What is the molecular formula of 3,4-Dichlorophenylcyanamide?
The molecular formula of 3,4-Dichlorophenylcyanamide is C7H4Cl2N2.
What is the molecular weight of 3,4-Dichlorophenylcyanamide?
The molecular weight of 3,4-Dichlorophenylcyanamide is 185.98 g/mol.
Where can I buy 3,4-Dichlorophenylcyanamide?
You can request a quote for 3,4-Dichlorophenylcyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorophenylcyanamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorophenylcyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.