CBKinase1_006133
TL;DR: CBKinase1_006133 (CAS 701238-34-8) is a chemical compound with molecular formula C20H20BrN3O5S and molecular weight 493.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Also Known As: CBKinase1_006133, CBKinase1_018533, 3-({[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetyl)-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione, 3-({[5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione, 3-(2-((5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
| Molecular Formula | C20H20BrN3O5S |
|---|---|
| Molecular Weight | 493.03 g/mol |
| LogP | 3.3129 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.0307 |
| Heavy Atoms | 30 |
| Complexity | 1054.5679 |
Chemical Identifiers
| CAS Number | 701238-34-8 |
|---|---|
| SMILES | CC1(CC2(CC(OC2=O)(C)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4Br)C(=O)O1)C |
Product Overview
CBKinase1_006133 (CAS 701238-34-8), with molecular formula C20H20BrN3O5S and molecular weight 493.03 g/mol. IUPAC: 3-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione.
Chemical Property Profile of CBKinase1_006133
Property Insights of CBKinase1_006133
The XLogP value of 3.3129 indicates that CBKinase1_006133 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006133. Following Lipinski's Rule of Five, CBKinase1_006133 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_006133?
The CAS number of CBKinase1_006133 is 701238-34-8.
What is the molecular formula of CBKinase1_006133?
The molecular formula of CBKinase1_006133 is C20H20BrN3O5S.
What is the molecular weight of CBKinase1_006133?
The molecular weight of CBKinase1_006133 is 493.03 g/mol.
Where can I buy CBKinase1_006133?
You can request a quote for CBKinase1_006133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006133?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.