T0517-6127
TL;DR: T0517-6127 (CAS 68827-40-7) is a chemical compound with molecular formula C12H11ClN2O and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-chloro-3-methylpyrazole-4-carbaldehyde
Also Known As: 1-benzyl-5-chloro-3-methyl-1h-pyrazole-4-carbaldehyde, 1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-methyl-1-(phenylmethyl)-, 1-benzyl-5-chloro-3-methylpyrazole-4-carbaldehyde, 1-benzyl-5-chloro-4-formyl-3-methylpyrazole, 5-Chloro-1-benzyl-3-methyl-1H-pyrazole-4-carbaldehyde
| Molecular Formula | C12H11ClN2O |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 2.70572 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.05598 |
| Heavy Atoms | 16 |
| Complexity | 505.23737 |
Chemical Identifiers
| CAS Number | 68827-40-7 |
|---|---|
| SMILES | CC1=NN(C(=C1C=O)Cl)CC2=CC=CC=C2 |
Product Overview
T0517-6127 (CAS 68827-40-7), with molecular formula C12H11ClN2O and molecular weight 234.06 g/mol. IUPAC: 1-benzyl-5-chloro-3-methylpyrazole-4-carbaldehyde.
Chemical Property Profile of T0517-6127
Property Insights of T0517-6127
The XLogP value of 2.70572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for T0517-6127. With a topological polar surface area (TPSA) of 34.89 Ų, T0517-6127 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, T0517-6127 has 0 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 T0517-6127?
The CAS number of T0517-6127 is 68827-40-7.
What is the molecular formula of T0517-6127?
The molecular formula of T0517-6127 is C12H11ClN2O.
What is the molecular weight of T0517-6127?
The molecular weight of T0517-6127 is 234.06 g/mol.
Where can I buy T0517-6127?
You can request a quote for T0517-6127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T0517-6127?
Yes, KEHONG BIO provides custom synthesis services for T0517-6127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.