CBKinase1_009371
TL;DR: CBKinase1_009371 (CAS 379710-27-7) is a chemical compound with molecular formula C12H13N5O4S and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxy-5-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_009371, CBKinase1_021771, N-(2-methoxy-5-nitrophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, BRD-K41705611-001-01-9, N-(2-methoxy-5-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C12H13N5O4S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 1.4627 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.06882 |
| Heavy Atoms | 22 |
| Complexity | 702.57513 |
Chemical Identifiers
| CAS Number | 379710-27-7 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC |
Product Overview
CBKinase1_009371 (CAS 379710-27-7), with molecular formula C12H13N5O4S and molecular weight 323.07 g/mol. IUPAC: N-(2-methoxy-5-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_009371
Property Insights of CBKinase1_009371
The XLogP value of 1.4627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_009371. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009371. Following Lipinski's Rule of Five, CBKinase1_009371 has 1 hydrogen bond donor(s) and 7 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_009371?
The CAS number of CBKinase1_009371 is 379710-27-7.
What is the molecular formula of CBKinase1_009371?
The molecular formula of CBKinase1_009371 is C12H13N5O4S.
What is the molecular weight of CBKinase1_009371?
The molecular weight of CBKinase1_009371 is 323.07 g/mol.
Where can I buy CBKinase1_009371?
You can request a quote for CBKinase1_009371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009371?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.