RefChem:1079142
TL;DR: RefChem:1079142 (CAS 82956-02-3) is a chemical compound with molecular formula C21H25N3O8S2 and molecular weight 511.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-carbamimidoylnaphthalen-2-yl) 4-(aminomethyl)benzoate;methanesulfonic acid
Also Known As: 6-(Aminoiminomethyl)-2-naphthalenyl 4-(aminomethyl)benzoate dimethanesulfonate, 6-Amidino-2-naphthyl-4-aminomethylbenzoate dimethanesulfonate, Benzoic acid, 4-(aminomethyl)-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethanesulfonate, 6-Amidino-2-naphthyl-4-aminomethylbenzoatedimethanesulfonate, 6-Carbamimidoyl-2-naphthyl 4-(aminomethyl)benzoate methanesu
| Molecular Formula | C21H25N3O8S2 |
|---|---|
| Molecular Weight | 511.11 g/mol |
| LogP | 1.80977 |
| Topological Polar Surface Area | 210.93 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 511.1083 |
| Heavy Atoms | 34 |
| Complexity | 1324.8988 |
Chemical Identifiers
| CAS Number | 82956-02-3 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1CN)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N |
Product Overview
RefChem:1079142 (CAS 82956-02-3), with molecular formula C21H25N3O8S2 and molecular weight 511.11 g/mol. IUPAC: (6-carbamimidoylnaphthalen-2-yl) 4-(aminomethyl)benzoate;methanesulfonic acid.
Chemical Property Profile of RefChem:1079142
Property Insights of RefChem:1079142
The XLogP value of 1.80977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079142. The TPSA of 210.93 Ų indicates high polarity, suggesting RefChem:1079142 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1079142 has 5 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:1079142?
The CAS number of RefChem:1079142 is 82956-02-3.
What is the molecular formula of RefChem:1079142?
The molecular formula of RefChem:1079142 is C21H25N3O8S2.
What is the molecular weight of RefChem:1079142?
The molecular weight of RefChem:1079142 is 511.11 g/mol.
Where can I buy RefChem:1079142?
You can request a quote for RefChem:1079142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079142?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.