CBKinase1_011572
TL;DR: CBKinase1_011572 (CAS 690249-66-2) is a chemical compound with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Also Known As: CBKinase1_011572, CBKinase1_023972, BRD-K64435743-001-01-6, 3-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid, 3-[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-ylthio]propanoic acid
| Molecular Formula | C14H17N3O4S |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 2.0661 |
| Topological Polar Surface Area | 86.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.09396 |
| Heavy Atoms | 22 |
| Complexity | 672.1027 |
Chemical Identifiers
| CAS Number | 690249-66-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCCC(=O)O)C2=CC(=C(C=C2)OC)OC |
Product Overview
CBKinase1_011572 (CAS 690249-66-2), with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol. IUPAC: 3-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid.
Chemical Property Profile of CBKinase1_011572
Property Insights of CBKinase1_011572
The XLogP value of 2.0661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_011572. The TPSA of 86.47 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011572. Following Lipinski's Rule of Five, CBKinase1_011572 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_011572?
The CAS number of CBKinase1_011572 is 690249-66-2.
What is the molecular formula of CBKinase1_011572?
The molecular formula of CBKinase1_011572 is C14H17N3O4S.
What is the molecular weight of CBKinase1_011572?
The molecular weight of CBKinase1_011572 is 323.09 g/mol.
Where can I buy CBKinase1_011572?
You can request a quote for CBKinase1_011572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011572?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.