CBKinase1_012171
TL;DR: CBKinase1_012171 (CAS 864936-57-2) is a chemical compound with molecular formula C17H17N3O2S2 and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Also Known As: CBKinase1_012171, CBKinase1_024571, 3-{[4-(2,3-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid, BRD-K42145354-001-01-8, 3-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
| Molecular Formula | C17H17N3O2S2 |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 4.17944 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.07623 |
| Heavy Atoms | 24 |
| Complexity | 856.8553 |
Chemical Identifiers
| CAS Number | 864936-57-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=NN=C2SCCC(=O)O)C3=CC=CS3)C |
Product Overview
CBKinase1_012171 (CAS 864936-57-2), with molecular formula C17H17N3O2S2 and molecular weight 359.08 g/mol. IUPAC: 3-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid.
Chemical Property Profile of CBKinase1_012171
Property Insights of CBKinase1_012171
The XLogP value of 4.17944 indicates that CBKinase1_012171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012171. Following Lipinski's Rule of Five, CBKinase1_012171 has 1 hydrogen bond donor(s) and 5 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_012171?
The CAS number of CBKinase1_012171 is 864936-57-2.
What is the molecular formula of CBKinase1_012171?
The molecular formula of CBKinase1_012171 is C17H17N3O2S2.
What is the molecular weight of CBKinase1_012171?
The molecular weight of CBKinase1_012171 is 359.08 g/mol.
Where can I buy CBKinase1_012171?
You can request a quote for CBKinase1_012171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012171?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.