CBKinase1_010971
TL;DR: CBKinase1_010971 (CAS 311809-96-8) is a chemical compound with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxylic acid
Also Known As: CBKinase1_010971, CBKinase1_023371, 3-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-methylthiazol-2-yl)-1H-pyrazole-5-carboxylic acid, VU0508002-1, BRD-K56781079-001-01-7
| Molecular Formula | C16H15N3O4S |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 3.18042 |
| Topological Polar Surface Area | 119.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.07834 |
| Heavy Atoms | 24 |
| Complexity | 929.54816 |
Chemical Identifiers
| CAS Number | 311809-96-8 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=NC(=CS3)C)C(=O)O |
Product Overview
CBKinase1_010971 (CAS 311809-96-8), with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol. IUPAC: 3-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of CBKinase1_010971
Property Insights of CBKinase1_010971
The XLogP value of 3.18042 indicates that CBKinase1_010971 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.33 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010971. Following Lipinski's Rule of Five, CBKinase1_010971 has 4 hydrogen bond donor(s) and 6 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 CBKinase1_010971?
The CAS number of CBKinase1_010971 is 311809-96-8.
What is the molecular formula of CBKinase1_010971?
The molecular formula of CBKinase1_010971 is C16H15N3O4S.
What is the molecular weight of CBKinase1_010971?
The molecular weight of CBKinase1_010971 is 345.08 g/mol.
Where can I buy CBKinase1_010971?
You can request a quote for CBKinase1_010971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010971?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.