3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide
TL;DR: 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide (CAS 72670-63-4) is a chemical compound with molecular formula C14H8Br2N2O2S and molecular weight 425.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide
Also Known As: 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide
| Molecular Formula | C14H8Br2N2O2S |
|---|---|
| Molecular Weight | 425.87 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.8673 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 72670-63-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=C(C(=CC(=C2)Br)Br)O)N=C=S |
| InChIKey | DBUCQLNKGXRLHN-UHFFFAOYSA-N |
Product Overview
3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide (CAS 72670-63-4), with molecular formula C14H8Br2N2O2S and molecular weight 425.87 g/mol. IUPAC: 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide.
Chemical Property Profile of 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide
Property Insights of 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide
The XLogP value of 5.7 indicates that 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide. Following Lipinski's Rule of Five, 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide?
The CAS number of 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide is 72670-63-4.
What is the molecular formula of 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide?
The molecular formula of 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide is C14H8Br2N2O2S.
What is the molecular weight of 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide?
The molecular weight of 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide is 425.87 g/mol.
Where can I buy 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide?
You can request a quote for 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.