CBKinase1_012394
TL;DR: CBKinase1_012394 (CAS 838816-57-2) is a chemical compound with molecular formula C20H19N3O6S and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_012394, CBKinase1_024794, IN04, Methyl 3-(2-((5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate, Methyl 3-[[2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C20H19N3O6S |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 3.2712 |
| Topological Polar Surface Area | 112.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.09946 |
| Heavy Atoms | 30 |
| Complexity | 1030.276 |
Chemical Identifiers
| CAS Number | 838816-57-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC(=C3)C(=O)OC)OC |
Product Overview
CBKinase1_012394 (CAS 838816-57-2), with molecular formula C20H19N3O6S and molecular weight 429.10 g/mol. IUPAC: methyl 3-[[2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_012394
Property Insights of CBKinase1_012394
The XLogP value of 3.2712 indicates that CBKinase1_012394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.78 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012394. Following Lipinski's Rule of Five, CBKinase1_012394 has 1 hydrogen bond donor(s) and 9 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_012394?
The CAS number of CBKinase1_012394 is 838816-57-2.
What is the molecular formula of CBKinase1_012394?
The molecular formula of CBKinase1_012394 is C20H19N3O6S.
What is the molecular weight of CBKinase1_012394?
The molecular weight of CBKinase1_012394 is 429.10 g/mol.
Where can I buy CBKinase1_012394?
You can request a quote for CBKinase1_012394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012394?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.