CID 27629
TL;DR: CID 27629 (CAS 16018-51-2) is a chemical compound with molecular formula C13H14ClN5 and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
Also Known As: 5-25-10-00231 (Beilstein Handbook Reference), 1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine, 1-(p-Chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)guanidine, N-(4-Chlorophenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)guanidine, n-(4-chlorophenyl)-n'-(4,6-dimethylpyrimidin-2-yl)guanidine
| Molecular Formula | C13H14ClN5 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.09378 |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 16018-51-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N=C(N)NC2=CC=C(C=C2)Cl)C |
| InChIKey | ANHAWMLUXSUVCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 27629 (CAS 16018-51-2), with molecular formula C13H14ClN5 and molecular weight 275.09 g/mol. IUPAC: 1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine.
Chemical Property Profile of CID 27629
Property Insights of CID 27629
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 27629. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 27629. Following Lipinski's Rule of Five, CID 27629 has 2 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 CID 27629?
The CAS number of CID 27629 is 16018-51-2.
What is the molecular formula of CID 27629?
The molecular formula of CID 27629 is C13H14ClN5.
What is the molecular weight of CID 27629?
The molecular weight of CID 27629 is 275.09 g/mol.
Where can I buy CID 27629?
You can request a quote for CID 27629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 27629?
Yes, KEHONG BIO provides custom synthesis services for CID 27629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.