RefChem:284226
TL;DR: RefChem:284226 (CAS 135601-85-3) is a chemical compound with molecular formula C20H17Br2N5O2S2 and molecular weight 580.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(3-anilino-2-hydroxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]-6,8-dibromo-2-methylquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 6,8-dibromo-3-(5-((2-hydroxy-3-(phenylamino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-, 3-[5-(3-anilino-2-hydroxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]-6,8-dibromo-2-methylquinazolin-4-one, 3-{5-[(3-Anilino-2-hydroxypropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-6,8-dibromo-2-methylquinazolin-4(3H)-one, 6,8-Dibromo-2-methyl-3-[5-[[3-anilino-2-hydroxypropyl]thio]-1,3,4-thiadiazol-2-yl]quinazolin-4(3H)-one, 6,8-dibromo-3-(5-{[2-hydroxy-3-(phenylamino)propyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methyl-3,4-dihydroquinazolin-4-one
| Molecular Formula | C20H17Br2N5O2S2 |
|---|---|
| Molecular Weight | 580.92 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 582.917 |
| Heavy Atoms | 31 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 135601-85-3 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=NN=C(S3)SCC(CNC4=CC=CC=C4)O |
| InChIKey | IHRMKSGJKPFHBB-UHFFFAOYSA-N |
Product Overview
RefChem:284226 (CAS 135601-85-3), with molecular formula C20H17Br2N5O2S2 and molecular weight 580.92 g/mol. IUPAC: 3-[5-(3-anilino-2-hydroxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]-6,8-dibromo-2-methylquinazolin-4-one.
Chemical Property Profile of RefChem:284226
Property Insights of RefChem:284226
The XLogP value of 4.5 indicates that RefChem:284226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:284226 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:284226 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:284226?
The CAS number of RefChem:284226 is 135601-85-3.
What is the molecular formula of RefChem:284226?
The molecular formula of RefChem:284226 is C20H17Br2N5O2S2.
What is the molecular weight of RefChem:284226?
The molecular weight of RefChem:284226 is 580.92 g/mol.
Where can I buy RefChem:284226?
You can request a quote for RefChem:284226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:284226?
Yes, KEHONG BIO provides custom synthesis services for RefChem:284226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.