1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)-
TL;DR: 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)- (CAS 81963-89-5) is a chemical compound with molecular formula C13H13Br2N3O3S and molecular weight 448.90 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-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)-, 5-(3,5-Dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)-1,3,4-oxadiazole-2(3H)-thione, (6E)-2,4-dibromo-6-[4-(morpholin-4-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one, RefChem:1052525, BRN 4558484
| Molecular Formula | C13H13Br2N3O3S |
|---|---|
| Molecular Weight | 448.90 g/mol |
| LogP | 3.39289 |
| Topological Polar Surface Area | 63.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.90445 |
| Heavy Atoms | 22 |
| Complexity | 740.61694 |
Chemical Identifiers
| CAS Number | 81963-89-5 |
|---|---|
| SMILES | C1COCCN1CN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O |
Product Overview
1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)- (CAS 81963-89-5), with molecular formula C13H13Br2N3O3S and molecular weight 448.90 g/mol. IUPAC: 5-(3,5-dibromo-2-hydroxyphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)-
Property Insights of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)-
The XLogP value of 3.39289 indicates that 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)- has 1 hydrogen bond donor(s) and 6 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 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)-?
The CAS number of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)- is 81963-89-5.
What is the molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)-?
The molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)- is C13H13Br2N3O3S.
What is the molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)-?
The molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)- is 448.90 g/mol.
Where can I buy 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)-?
You can request a quote for 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(4-morpholinylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.