CBKinase1_003431
TL;DR: CBKinase1_003431 (CAS 693796-81-5) is a chemical compound with molecular formula C23H17ClN4OS2 and molecular weight 464.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
Also Known As: CBKinase1_003431, CBKinase1_015831, BRD-K42125540-001-01-5, 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone, 2-{[5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(10H-phenothiazin-10-yl)ethanone
| Molecular Formula | C23H17ClN4OS2 |
|---|---|
| Molecular Weight | 464.05 g/mol |
| LogP | 6.0571 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.05322 |
| Heavy Atoms | 31 |
| Complexity | 1244.574 |
Chemical Identifiers
| CAS Number | 693796-81-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=CC=C5Cl |
Product Overview
CBKinase1_003431 (CAS 693796-81-5), with molecular formula C23H17ClN4OS2 and molecular weight 464.05 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of CBKinase1_003431
Property Insights of CBKinase1_003431
The XLogP value of 6.0571 indicates that CBKinase1_003431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, CBKinase1_003431 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003431 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_003431?
The CAS number of CBKinase1_003431 is 693796-81-5.
What is the molecular formula of CBKinase1_003431?
The molecular formula of CBKinase1_003431 is C23H17ClN4OS2.
What is the molecular weight of CBKinase1_003431?
The molecular weight of CBKinase1_003431 is 464.05 g/mol.
Where can I buy CBKinase1_003431?
You can request a quote for CBKinase1_003431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003431?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.