CBKinase1_003287
TL;DR: CBKinase1_003287 (CAS 693255-13-9) is a chemical compound with molecular formula C12H12N4O4S2 and molecular weight 340.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxy-2-nitrophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Also Known As: CBKinase1_003287, CBKinase1_015687, BRD-K96991701-001-01-0, N-(4-methoxy-2-nitrophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C12H12N4O4S2 |
|---|---|
| Molecular Weight | 340.03 g/mol |
| LogP | 2.49412 |
| Topological Polar Surface Area | 107.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.03 |
| Heavy Atoms | 22 |
| Complexity | 704.18475 |
Chemical Identifiers
| CAS Number | 693255-13-9 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] |
Product Overview
CBKinase1_003287 (CAS 693255-13-9), with molecular formula C12H12N4O4S2 and molecular weight 340.03 g/mol. IUPAC: N-(4-methoxy-2-nitrophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003287
Property Insights of CBKinase1_003287
The XLogP value of 2.49412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003287. The TPSA of 107.25 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003287. Following Lipinski's Rule of Five, CBKinase1_003287 has 1 hydrogen bond donor(s) and 8 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_003287?
The CAS number of CBKinase1_003287 is 693255-13-9.
What is the molecular formula of CBKinase1_003287?
The molecular formula of CBKinase1_003287 is C12H12N4O4S2.
What is the molecular weight of CBKinase1_003287?
The molecular weight of CBKinase1_003287 is 340.03 g/mol.
Where can I buy CBKinase1_003287?
You can request a quote for CBKinase1_003287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003287?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.