C11H7Cl2N5O
TL;DR: C11H7Cl2N5O (CAS 1025306-99-3) is a chemical compound with molecular formula C11H7Cl2N5O and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-amino-1,2-dicyanoethenyl)-3-(3,4-dichlorophenyl)urea
Also Known As: ((2-amino-1,2-dinitrilovinyl)amino)-N-(3,4-dichlorophenyl)formamide, 1-(2-amino-1,2-dicyano-vinyl)-3-(3,4-dichlorophenyl)urea, 1-(2-amino-1,2-dicyanoethenyl)-3-(3,4-dichlorophenyl)urea, 3-(2-amino-1,2-dicyano-ethenyl)-1-(3,4-dichlorophenyl)urea, C11H7Cl2N5O
| Molecular Formula | C11H7Cl2N5O |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 2.33236 |
| Topological Polar Surface Area | 114.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.00278 |
| Heavy Atoms | 19 |
| Complexity | 626.9532 |
Chemical Identifiers
| CAS Number | 1025306-99-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)NC(=C(C#N)N)C#N)Cl)Cl |
Product Overview
C11H7Cl2N5O (CAS 1025306-99-3), with molecular formula C11H7Cl2N5O and molecular weight 295.00 g/mol. IUPAC: 1-(2-amino-1,2-dicyanoethenyl)-3-(3,4-dichlorophenyl)urea.
Chemical Property Profile of C11H7Cl2N5O
Property Insights of C11H7Cl2N5O
The XLogP value of 2.33236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C11H7Cl2N5O. The TPSA of 114.73 Ų falls within the moderate polarity range, balancing permeability and solubility for C11H7Cl2N5O. Following Lipinski's Rule of Five, C11H7Cl2N5O has 3 hydrogen bond donor(s) and 4 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 C11H7Cl2N5O?
The CAS number of C11H7Cl2N5O is 1025306-99-3.
What is the molecular formula of C11H7Cl2N5O?
The molecular formula of C11H7Cl2N5O is C11H7Cl2N5O.
What is the molecular weight of C11H7Cl2N5O?
The molecular weight of C11H7Cl2N5O is 295.00 g/mol.
Where can I buy C11H7Cl2N5O?
You can request a quote for C11H7Cl2N5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C11H7Cl2N5O?
Yes, KEHONG BIO provides custom synthesis services for C11H7Cl2N5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.