RefChem:315262
TL;DR: RefChem:315262 (CAS 109193-53-5) is a chemical compound with molecular formula C20H23ClN8O4S2 and molecular weight 538.10 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-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl]amino]methylidene]amino]sulfonyl-2-methylphenyl]acetamide;hydrochloride
Also Known As: Acetamide, N-(4-(((imino((imino((5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl)amino)methyl)amino)methyl)amino)sulfonyl)-2-methylphenyl)-, monohydrochloride, ACETAMIDE,N-(4-(((IMINO((IMINO((5-(4-METHOXYPHENYL)-1,3,4-THIADIAZOL- 2-YL)AMINO)METHYL)AMINO)METHYL)AMINO)SULFONYL)-02-METHYLPHENYL)-,MONOH YDROCHLORIDE, N-(4-{[(E)-Amino({N'-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl}amino)methylidene]sulfamoyl}-2-methylphenyl)acetamide--hydrogen chloride (1/1), N-[4-[(E)-[amino-[[(E)-N'-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl]amino]methylidene]amino]sulfonyl-2-methylphenyl]acetamide, N-[4-[(E)-[amino-[[(E)-N'-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl]amino]methylidene]amino]sulfonyl-2-methylphenyl]acetamide,hydrochloride
| Molecular Formula | C20H23ClN8O4S2 |
|---|---|
| Molecular Weight | 538.10 g/mol |
| LogP | 2.14172 |
| Topological Polar Surface Area | 187.04 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.0972 |
| Heavy Atoms | 35 |
| Complexity | 1372.0165 |
Chemical Identifiers
| CAS Number | 109193-53-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)/N=C(\N)/N/C(=N/C2=NN=C(S2)C3=CC=C(C=C3)OC)/N)NC(=O)C.Cl |
Product Overview
RefChem:315262 (CAS 109193-53-5), with molecular formula C20H23ClN8O4S2 and molecular weight 538.10 g/mol. IUPAC: N-[4-[(E)-[amino-[[(E)-N'-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl]amino]methylidene]amino]sulfonyl-2-methylphenyl]acetamide;hydrochloride.
Chemical Property Profile of RefChem:315262
Property Insights of RefChem:315262
The XLogP value of 2.14172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315262. The TPSA of 187.04 Ų indicates high polarity, suggesting RefChem:315262 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:315262 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:315262?
The CAS number of RefChem:315262 is 109193-53-5.
What is the molecular formula of RefChem:315262?
The molecular formula of RefChem:315262 is C20H23ClN8O4S2.
What is the molecular weight of RefChem:315262?
The molecular weight of RefChem:315262 is 538.10 g/mol.
Where can I buy RefChem:315262?
You can request a quote for RefChem:315262 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315262?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315262 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.