DivK1c_005598
TL;DR: DivK1c_005598 (CAS 305337-52-4) is a chemical compound with molecular formula C21H20BrN3O2S and molecular weight 457.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: DivK1c_005598, CDS1_004558, BAS 00792544, BIM-0030326.P001, 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
| Molecular Formula | C21H20BrN3O2S |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 5.2673 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.04596 |
| Heavy Atoms | 28 |
| Complexity | 981.8902 |
Chemical Identifiers
| CAS Number | 305337-52-4 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Br |
Product Overview
DivK1c_005598 (CAS 305337-52-4), with molecular formula C21H20BrN3O2S and molecular weight 457.05 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of DivK1c_005598
Property Insights of DivK1c_005598
The XLogP value of 5.2673 indicates that DivK1c_005598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, DivK1c_005598 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DivK1c_005598 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 DivK1c_005598?
The CAS number of DivK1c_005598 is 305337-52-4.
What is the molecular formula of DivK1c_005598?
The molecular formula of DivK1c_005598 is C21H20BrN3O2S.
What is the molecular weight of DivK1c_005598?
The molecular weight of DivK1c_005598 is 457.05 g/mol.
Where can I buy DivK1c_005598?
You can request a quote for DivK1c_005598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005598?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.