C12H15ClN4O
TL;DR: C12H15ClN4O (CAS 353492-29-2) is a chemical compound with molecular formula C12H15ClN4O and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-1-methylpyrazole-3-carboxamide
Also Known As: (E)-4-chloro-N'-(cyclohex-3-en-1-ylmethylene)-1-methyl-1H-pyrazole-3-carbohydrazide, N-((1E)-2-cyclohex-3-enyl-1-azavinyl)(4-chloro-1-methylpyrazol-3-yl)carboxamid e
| Molecular Formula | C12H15ClN4O |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 2.1454 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.09344 |
| Heavy Atoms | 18 |
| Complexity | 492.2669 |
Chemical Identifiers
| CAS Number | 353492-29-2 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)N/N=C/C2CCC=CC2)Cl |
Product Overview
C12H15ClN4O (CAS 353492-29-2), with molecular formula C12H15ClN4O and molecular weight 266.09 g/mol. IUPAC: 4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-1-methylpyrazole-3-carboxamide.
Chemical Property Profile of C12H15ClN4O
Property Insights of C12H15ClN4O
The XLogP value of 2.1454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H15ClN4O. With a topological polar surface area (TPSA) of 59.28 Ų, C12H15ClN4O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H15ClN4O has 1 hydrogen bond donor(s) and 3 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 C12H15ClN4O?
The CAS number of C12H15ClN4O is 353492-29-2.
What is the molecular formula of C12H15ClN4O?
The molecular formula of C12H15ClN4O is C12H15ClN4O.
What is the molecular weight of C12H15ClN4O?
The molecular weight of C12H15ClN4O is 266.09 g/mol.
Where can I buy C12H15ClN4O?
You can request a quote for C12H15ClN4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H15ClN4O?
Yes, KEHONG BIO provides custom synthesis services for C12H15ClN4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.