CI-953 free base
TL;DR: CI-953 free base (CAS 97627-24-2) is a chemical compound with molecular formula C13H12ClN3O and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-6-methylphenyl)-3-pyridin-4-ylurea
Also Known As: CI-953 free base, N-(2-Chloro-6-methylphenyl)-N'-4-pyridinylurea, Urea, N-(2-chloro-6-methylphenyl)-N'-4-pyridinyl-, 1-(2-Chloro-6-methylphenyl)-3-(pyridin-4-yl)urea, 1-(2-chloro-6-methylphenyl)-3-pyridin-4-ylurea
| Molecular Formula | C13H12ClN3O |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0669 |
| Heavy Atoms | 18 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 97627-24-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)NC2=CC=NC=C2 |
| InChIKey | ZSBWDKCIIZYQIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CI-953 free base (CAS 97627-24-2), with molecular formula C13H12ClN3O and molecular weight 261.07 g/mol. IUPAC: 1-(2-chloro-6-methylphenyl)-3-pyridin-4-ylurea.
Chemical Property Profile of CI-953 free base
Property Insights of CI-953 free base
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CI-953 free base. With a topological polar surface area (TPSA) of 54.0 Ų, CI-953 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CI-953 free base has 2 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 CI-953 free base?
The CAS number of CI-953 free base is 97627-24-2.
What is the molecular formula of CI-953 free base?
The molecular formula of CI-953 free base is C13H12ClN3O.
What is the molecular weight of CI-953 free base?
The molecular weight of CI-953 free base is 261.07 g/mol.
Where can I buy CI-953 free base?
You can request a quote for CI-953 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI-953 free base?
Yes, KEHONG BIO provides custom synthesis services for CI-953 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.