CBKinase1_007440
TL;DR: CBKinase1_007440 (CAS 708295-28-7) is a chemical compound with molecular formula C16H20BrN5O2S and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromophenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_007440, CBKinase1_019840, BRD-K38251848-001-01-4, N-(2-bromophenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-bromophenyl)-2-{[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C16H20BrN5O2S |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | 2.1406 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.05212 |
| Heavy Atoms | 25 |
| Complexity | 733.0652 |
Chemical Identifiers
| CAS Number | 708295-28-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Br)CN3CCOCC3 |
Product Overview
CBKinase1_007440 (CAS 708295-28-7), with molecular formula C16H20BrN5O2S and molecular weight 425.05 g/mol. IUPAC: N-(2-bromophenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007440
Property Insights of CBKinase1_007440
The XLogP value of 2.1406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_007440. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007440. Following Lipinski's Rule of Five, CBKinase1_007440 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_007440?
The CAS number of CBKinase1_007440 is 708295-28-7.
What is the molecular formula of CBKinase1_007440?
The molecular formula of CBKinase1_007440 is C16H20BrN5O2S.
What is the molecular weight of CBKinase1_007440?
The molecular weight of CBKinase1_007440 is 425.05 g/mol.
Where can I buy CBKinase1_007440?
You can request a quote for CBKinase1_007440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007440?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.