RefChem:284112
TL;DR: RefChem:284112 (CAS 135575-55-2) is a chemical compound with molecular formula C21H21N5O2S2 and molecular weight 439.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(5-((2-hydroxy-3-((4-methylphenyl)amino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-, 2-Methyl-3-[5-[[3-(4-methylanilino)-2-hydroxypropyl]thio]-1,3,4-thiadiazol-2-yl]quinazolin-4(3H)-one, 3-(5-{[2-Hydroxy-3-(4-methylanilino)propyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylquinazolin-4(3H)-one, 3-[5-({2-hydroxy-3-[(4-methylphenyl)amino]propyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3,4-dihydroquinazolin-4-one, 3-[5-({2-hydroxy-3-[(4-methylphenyl)amino]propyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4(3h)-one
| Molecular Formula | C21H21N5O2S2 |
|---|---|
| Molecular Weight | 439.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.11368 |
| Heavy Atoms | 30 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 135575-55-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC(CSC2=NN=C(S2)N3C(=NC4=CC=CC=C4C3=O)C)O |
| InChIKey | OPNKCSPYWLUCCM-UHFFFAOYSA-N |
Product Overview
RefChem:284112 (CAS 135575-55-2), with molecular formula C21H21N5O2S2 and molecular weight 439.11 g/mol. IUPAC: 3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one.
Chemical Property Profile of RefChem:284112
Property Insights of RefChem:284112
The XLogP value of 3.5 indicates that RefChem:284112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:284112 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:284112 has 2 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 RefChem:284112?
The CAS number of RefChem:284112 is 135575-55-2.
What is the molecular formula of RefChem:284112?
The molecular formula of RefChem:284112 is C21H21N5O2S2.
What is the molecular weight of RefChem:284112?
The molecular weight of RefChem:284112 is 439.11 g/mol.
Where can I buy RefChem:284112?
You can request a quote for RefChem:284112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:284112?
Yes, KEHONG BIO provides custom synthesis services for RefChem:284112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.