CBKinase1_010992
TL;DR: CBKinase1_010992 (CAS 833440-59-8) is a chemical compound with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Also Known As: CBKinase1_010992, CBKinase1_023392, AB00456172-03, 3-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid, BRD-K95032269-001-01-8
| Molecular Formula | C19H19N3O4S |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 3.5183 |
| Topological Polar Surface Area | 86.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 385.10962 |
| Heavy Atoms | 27 |
| Complexity | 927.9591 |
Chemical Identifiers
| CAS Number | 833440-59-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)O)OC |
Product Overview
CBKinase1_010992 (CAS 833440-59-8), with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol. IUPAC: 3-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid.
Chemical Property Profile of CBKinase1_010992
Property Insights of CBKinase1_010992
The XLogP value of 3.5183 indicates that CBKinase1_010992 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.47 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010992. Following Lipinski's Rule of Five, CBKinase1_010992 has 1 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_010992?
The CAS number of CBKinase1_010992 is 833440-59-8.
What is the molecular formula of CBKinase1_010992?
The molecular formula of CBKinase1_010992 is C19H19N3O4S.
What is the molecular weight of CBKinase1_010992?
The molecular weight of CBKinase1_010992 is 385.11 g/mol.
Where can I buy CBKinase1_010992?
You can request a quote for CBKinase1_010992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010992?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.