C18H20N6O2.CH4O3S
TL;DR: C18H20N6O2.CH4O3S (CAS 58698-36-5) is a chemical compound with molecular formula C19H24N6O5S and molecular weight 448.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetylphenyl)-3-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea;methanesulfonic acid
Also Known As: 1,1,1,2,3,3-Hexafluoro-4-methoxybutane, 4,4'-Diacetyldiphenylure-monoguanylhydrazone methanesulfonate salt, Hydrazinecarboximidamide, 2-(1-(4-((((4-acetylphenyl)amino)carbonyl)amino)phenyl)ethylidene)-, monomethanesulfonate, Hydrazinecarboximidamide, 2-[1-[4-[[[(4-acetylphenyl)amino]carbonyl]amino]phenyl]ethylidene]-, monomethanesufonate
| Molecular Formula | C19H24N6O5S |
|---|---|
| Molecular Weight | 448.15 g/mol |
| LogP | 2.0346 |
| Topological Polar Surface Area | 189.33 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.1529 |
| Heavy Atoms | 31 |
| Complexity | 1065.7764 |
Chemical Identifiers
| CAS Number | 58698-36-5 |
|---|---|
| SMILES | C/C(=N/N=C(N)N)/C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)C.CS(=O)(=O)O |
Product Overview
C18H20N6O2.CH4O3S (CAS 58698-36-5), with molecular formula C19H24N6O5S and molecular weight 448.15 g/mol. IUPAC: 1-(4-acetylphenyl)-3-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea;methanesulfonic acid.
Chemical Property Profile of C18H20N6O2.CH4O3S
Property Insights of C18H20N6O2.CH4O3S
The XLogP value of 2.0346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H20N6O2.CH4O3S. The TPSA of 189.33 Ų indicates high polarity, suggesting C18H20N6O2.CH4O3S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H20N6O2.CH4O3S has 5 hydrogen bond donor(s) and 6 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 C18H20N6O2.CH4O3S?
The CAS number of C18H20N6O2.CH4O3S is 58698-36-5.
What is the molecular formula of C18H20N6O2.CH4O3S?
The molecular formula of C18H20N6O2.CH4O3S is C19H24N6O5S.
What is the molecular weight of C18H20N6O2.CH4O3S?
The molecular weight of C18H20N6O2.CH4O3S is 448.15 g/mol.
Where can I buy C18H20N6O2.CH4O3S?
You can request a quote for C18H20N6O2.CH4O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H20N6O2.CH4O3S?
Yes, KEHONG BIO provides custom synthesis services for C18H20N6O2.CH4O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.