RefChem:315268
TL;DR: RefChem:315268 (CAS 109193-31-9) is a chemical compound with molecular formula C20H23ClN8O3S2 and molecular weight 522.10 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-benzyl-1,3,4-thiadiazol-2-yl)carbamimidoyl]amino]methylidene]amino]sulfonyl-2-methylphenyl]acetamide;hydrochloride
Also Known As: Acetamide, N-(4-(((imino((imino((5-(phenylmethyl)-1,3,4-thiadiazol-2-yl)amino)methyl)amino)methyl)amino)sulfonyl)-2-methylphenyl)-, monohydrochloride, N-(4-{[(E)-Amino{[N'-(5-benzyl-1,3,4-thiadiazol-2-yl)carbamimidoyl]amino}methylidene]sulfamoyl}-2-methylphenyl)acetamide--hydrogen chloride (1/1), RefChem:315268
| Molecular Formula | C20H23ClN8O3S2 |
|---|---|
| Molecular Weight | 522.10 g/mol |
| LogP | 2.05692 |
| Topological Polar Surface Area | 177.81 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.1023 |
| Heavy Atoms | 34 |
| Complexity | 1324.5964 |
Chemical Identifiers
| CAS Number | 109193-31-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)/N=C(\N)/N/C(=N/C2=NN=C(S2)CC3=CC=CC=C3)/N)NC(=O)C.Cl |
Product Overview
RefChem:315268 (CAS 109193-31-9), with molecular formula C20H23ClN8O3S2 and molecular weight 522.10 g/mol. IUPAC: N-[4-[(E)-[amino-[[(E)-N'-(5-benzyl-1,3,4-thiadiazol-2-yl)carbamimidoyl]amino]methylidene]amino]sulfonyl-2-methylphenyl]acetamide;hydrochloride.
Chemical Property Profile of RefChem:315268
Property Insights of RefChem:315268
The XLogP value of 2.05692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315268. The TPSA of 177.81 Ų indicates high polarity, suggesting RefChem:315268 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:315268 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:315268?
The CAS number of RefChem:315268 is 109193-31-9.
What is the molecular formula of RefChem:315268?
The molecular formula of RefChem:315268 is C20H23ClN8O3S2.
What is the molecular weight of RefChem:315268?
The molecular weight of RefChem:315268 is 522.10 g/mol.
Where can I buy RefChem:315268?
You can request a quote for RefChem:315268 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315268?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315268 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.