C16H21N7O3S3
TL;DR: C16H21N7O3S3 (CAS 311794-52-2) is a chemical compound with molecular formula C16H21N7O3S3 and molecular weight 455.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]-2-[[5-[(E)-dimethylaminomethylideneamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Also Known As: A1555/0067746, 2-((5-((E)-((dimethylamino)methylene)amino)-1,3,4-thiadiazol-2-yl)thio)-N-(4-((E)-N-((dimethylamino)methylene)sulfamoyl)phenyl)acetamide, 2-({5-[(E)-[(DIMETHYLAMINO)METHYLIDENE]AMINO]-1,3,4-THIADIAZOL-2-YL}SULFANYL)-N-(4-{[(E)-[(DIMETHYLAMINO)METHYLIDENE]AMINO]SULFONYL}PHENYL)ACETAMIDE, 2-[(5-{[(E)-(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-{[(E)-(dimethylamino)methylidene]sulfamoyl}phenyl)acetamide, N-[4-({[(dimethylamino)methylene]amino}sulfonyl)phenyl]-2-[(5-{[(dimethylamino)methylene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C16H21N7O3S3 |
|---|---|
| Molecular Weight | 455.09 g/mol |
| LogP | 1.7689 |
| Topological Polar Surface Area | 120.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.0868 |
| Heavy Atoms | 29 |
| Complexity | 983.4424 |
Chemical Identifiers
| CAS Number | 311794-52-2 |
|---|---|
| SMILES | CN(C)/C=N/C1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)/N=C/N(C)C |
Product Overview
C16H21N7O3S3 (CAS 311794-52-2), with molecular formula C16H21N7O3S3 and molecular weight 455.09 g/mol. IUPAC: N-[4-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]-2-[[5-[(E)-dimethylaminomethylideneamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of C16H21N7O3S3
Property Insights of C16H21N7O3S3
The XLogP value of 1.7689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H21N7O3S3. The TPSA of 120.22 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H21N7O3S3. Following Lipinski's Rule of Five, C16H21N7O3S3 has 1 hydrogen bond donor(s) and 8 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 C16H21N7O3S3?
The CAS number of C16H21N7O3S3 is 311794-52-2.
What is the molecular formula of C16H21N7O3S3?
The molecular formula of C16H21N7O3S3 is C16H21N7O3S3.
What is the molecular weight of C16H21N7O3S3?
The molecular weight of C16H21N7O3S3 is 455.09 g/mol.
Where can I buy C16H21N7O3S3?
You can request a quote for C16H21N7O3S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H21N7O3S3?
Yes, KEHONG BIO provides custom synthesis services for C16H21N7O3S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.