BRN 5412115
TL;DR: BRN 5412115 (CAS 55217-91-9) is a chemical compound with molecular formula C13H16N4O6S2 and molecular weight 388.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide
Also Known As: 3-Methyl-2-(3,4,5-trimethoxybenzoylimino)-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide, 4-Methyl-5-(3,4,5-trimethoxybenzoylimino)-delta(sup 2)-1,3,4-thiadiazoline-2-sulfonamide, Benzamide, N-(4-methyl-2-sulfamoyl-delta(sup 2)-1,3,4-thiadiazolin-5-ylidene)-3,4,5-trimethoxy-, 3,4,5-trimethoxy-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide, N-(4,5-Dihydro-4-methyl-2-sulfamoyl-1,3,4-thiadiazol-5-ylidene)-3,4,5-trimethoxybenzamide
| Molecular Formula | C13H16N4O6S2 |
|---|---|
| Molecular Weight | 388.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.05112 |
| Heavy Atoms | 25 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 55217-91-9 |
|---|---|
| SMILES | CN1C(=NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)SC(=N1)S(=O)(=O)N |
| InChIKey | HFHDIWTUXZNDTJ-UHFFFAOYSA-N |
Product Overview
BRN 5412115 (CAS 55217-91-9), with molecular formula C13H16N4O6S2 and molecular weight 388.05 g/mol. IUPAC: 3,4,5-trimethoxy-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide.
Chemical Property Profile of BRN 5412115
Property Insights of BRN 5412115
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 5412115. The TPSA of 167.0 Ų indicates high polarity, suggesting BRN 5412115 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 5412115 has 1 hydrogen bond donor(s) and 9 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 BRN 5412115?
The CAS number of BRN 5412115 is 55217-91-9.
What is the molecular formula of BRN 5412115?
The molecular formula of BRN 5412115 is C13H16N4O6S2.
What is the molecular weight of BRN 5412115?
The molecular weight of BRN 5412115 is 388.05 g/mol.
Where can I buy BRN 5412115?
You can request a quote for BRN 5412115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 5412115?
Yes, KEHONG BIO provides custom synthesis services for BRN 5412115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.