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[(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate
TL;DR: [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate (CAS 573965-48-7) is a chemical compound with molecular formula C20H24N2O7S and molecular weight 436.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-adamantylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
Also Known As: [(adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate|NCGC00188612-01|NCGC00188612-02|[2-(1-adamantylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate|MLS000389544-01|MLS000389544, >=98% (HPLC)|1-adamantylcarbamoylmethyl 4-methylsulfonyl-3-nitro-benzoate|((adamantan-1-yl)carbamoyl)methyl 4-methanesulfonyl-3-nitrobenzoate|[(adamantan-1-yl)carbamoyl]methyl4-methanesulfonyl-3-nitrobenzoate|[2-(1-adamantylamino)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate|4-mesyl-3-nitro-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester|[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate|4-methylsulfonyl-3-nitrobenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester|853-024-6|RefChem:390347|MLS000389544|C20H24N2O7S|SMR000255818|MLS003915224|orb2945136
| Molecular Formula | C20H24N2O7S |
|---|---|
| Molecular Weight | 436.13 g/mol |
| LogP | 2.2401 |
| Topological Polar Surface Area | 132.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.13043 |
| Heavy Atoms | 30 |
| Complexity | 982.69714 |
Chemical Identifiers
| CAS Number | 573965-48-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-] |
Product Overview
[(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate (CAS 573965-48-7), with molecular formula C20H24N2O7S and molecular weight 436.13 g/mol. IUPAC: [2-(1-adamantylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate.
Chemical Property Profile of [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate
Property Insights of [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate
The XLogP value of 2.2401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate. The TPSA of 132.68 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate. Following Lipinski's Rule of Five, [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate has 1 hydrogen bond donor(s) and 7 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 [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate?
The CAS number of [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate is 573965-48-7.
What is the molecular formula of [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate?
The molecular formula of [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate is C20H24N2O7S.
What is the molecular weight of [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate?
The molecular weight of [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate is 436.13 g/mol.
Where can I buy [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate?
You can request a quote for [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(Adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.