RefChem:1052518
TL;DR: RefChem:1052518 (CAS 81963-84-0) is a chemical compound with molecular formula C16H13Br2N3O3S and molecular weight 484.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5-dibromo-2-hydroxyphenyl)-3-[(4-methoxyanilino)methyl]-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methoxyphenyl)amino)methyl)-, (6E)-2,4-dibromo-6-[4-[(4-methoxyanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one, RefChem:1052518, BRN 4580165
| Molecular Formula | C16H13Br2N3O3S |
|---|---|
| Molecular Weight | 484.90 g/mol |
| LogP | 5.18139 |
| Topological Polar Surface Area | 72.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.90445 |
| Heavy Atoms | 25 |
| Complexity | 954.2491 |
Chemical Identifiers
| CAS Number | 81963-84-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O |
Product Overview
RefChem:1052518 (CAS 81963-84-0), with molecular formula C16H13Br2N3O3S and molecular weight 484.90 g/mol. IUPAC: 5-(3,5-dibromo-2-hydroxyphenyl)-3-[(4-methoxyanilino)methyl]-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of RefChem:1052518
Property Insights of RefChem:1052518
The XLogP value of 5.18139 indicates that RefChem:1052518 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052518. Following Lipinski's Rule of Five, RefChem:1052518 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1052518?
The CAS number of RefChem:1052518 is 81963-84-0.
What is the molecular formula of RefChem:1052518?
The molecular formula of RefChem:1052518 is C16H13Br2N3O3S.
What is the molecular weight of RefChem:1052518?
The molecular weight of RefChem:1052518 is 484.90 g/mol.
Where can I buy RefChem:1052518?
You can request a quote for RefChem:1052518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052518?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.