RefChem:284113
TL;DR: RefChem:284113 (CAS 135575-66-5) is a chemical compound with molecular formula C21H20IN5O2S2 and molecular weight 565.01 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]-6-iodo-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)-6-iodo-2-methyl-, 3-(5-{[2-Hydroxy-3-(4-methylanilino)propyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-6-iodo-2-methylquinazolin-4(3H)-one, 3-[5-({2-hydroxy-3-[(4-methylphenyl)amino]propyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-6-iodo-2-methyl-3,4-dihydroquinazolin-4-one, 3-[5-({2-hydroxy-3-[(4-methylphenyl)amino]propyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-6-iodo-2-methylquinazolin-4(3h)-one, 3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-6-iodo-2-methylquinazolin-4-one
| Molecular Formula | C21H20IN5O2S2 |
|---|---|
| Molecular Weight | 565.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 565.0103 |
| Heavy Atoms | 31 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 135575-66-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)I)C)O |
| InChIKey | FIPQRKHAHJBQIC-UHFFFAOYSA-N |
Product Overview
RefChem:284113 (CAS 135575-66-5), with molecular formula C21H20IN5O2S2 and molecular weight 565.01 g/mol. IUPAC: 3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-6-iodo-2-methylquinazolin-4-one.
Chemical Property Profile of RefChem:284113
Property Insights of RefChem:284113
The XLogP value of 4.1 indicates that RefChem:284113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:284113 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:284113 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:284113?
The CAS number of RefChem:284113 is 135575-66-5.
What is the molecular formula of RefChem:284113?
The molecular formula of RefChem:284113 is C21H20IN5O2S2.
What is the molecular weight of RefChem:284113?
The molecular weight of RefChem:284113 is 565.01 g/mol.
Where can I buy RefChem:284113?
You can request a quote for RefChem:284113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:284113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:284113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.