RefChem:315267
TL;DR: RefChem:315267 (CAS 109265-99-8) is a chemical compound with molecular formula C18H18ClN9O5S2 and molecular weight 539.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(E)-[amino-[[(E)-N'-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl]amino]methylidene]amino]sulfonylphenyl]acetamide;hydrochloride
Also Known As: Acetamide, N-(4-(((imino((imino((5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl)amino)methyl)amino)methyl)amino)sulfonyl)phenyl)-, monohydrochloride, ACETAMIDE,N-(4-(((IMINO((IMINO((5-(4-NITROPHENYL)-1,3,4-THIADIAZOL-2-YL)AMINO)METHYL)AMINO)METHYL)AMINO)SULFONYL)PHENYL)- HCL, Acetamide,N-(4-(((imino((imino((5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl)amino)methyl)amino)methyl)amino)sulfonyl)phenyl)-hcl, N-(4-{[(E)-Amino({N'-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl}amino)methylidene]sulfamoyl}phenyl)acetamide--hydrogen chloride (1/1), N-[4-[(E)-[amino-[[(E)-N'-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl]amino]methylidene]amino]sulfonylphenyl]acetamide
| Molecular Formula | C18H18ClN9O5S2 |
|---|---|
| Molecular Weight | 539.06 g/mol |
| LogP | 1.7329 |
| Topological Polar Surface Area | 220.95 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.0561 |
| Heavy Atoms | 35 |
| Complexity | 1388.4786 |
Chemical Identifiers
| CAS Number | 109265-99-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/N/C(=N/C2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])/N.Cl |
Product Overview
RefChem:315267 (CAS 109265-99-8), with molecular formula C18H18ClN9O5S2 and molecular weight 539.06 g/mol. IUPAC: N-[4-[(E)-[amino-[[(E)-N'-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl]amino]methylidene]amino]sulfonylphenyl]acetamide;hydrochloride.
Chemical Property Profile of RefChem:315267
Property Insights of RefChem:315267
The XLogP value of 1.7329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315267. The TPSA of 220.95 Ų indicates high polarity, suggesting RefChem:315267 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:315267 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:315267?
The CAS number of RefChem:315267 is 109265-99-8.
What is the molecular formula of RefChem:315267?
The molecular formula of RefChem:315267 is C18H18ClN9O5S2.
What is the molecular weight of RefChem:315267?
The molecular weight of RefChem:315267 is 539.06 g/mol.
Where can I buy RefChem:315267?
You can request a quote for RefChem:315267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315267?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.