Benzyl-2,2,4,4-tetramethylpentanoate
TL;DR: Benzyl-2,2,4,4-tetramethylpentanoate (CAS 81325-75-9) is a chemical compound with molecular formula C20H23Cl2N5O4 and molecular weight 467.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-chloro-1-N-[3-(dimethylamino)propyl]-4-methyl-3-oxophenoxazine-1,9-dicarboxamide;hydrochloride
Also Known As: Benzyl-2,2,4,4-tetramethylpentanoate, 3H-Phenoxazine-1,9-dicarboxamide, 2-amino-6-chloro-N1-(3-(dimethylamino)propyl)-4-methyl-3-oxo-, monohydrochloride, 2-Amino-6-chloro-N1-(3-(dimethylamino)propyl)-4-methyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide monohydrochloride, 2-amino-6-chloro-1-N-[3-(dimethylamino)propyl]-4-methyl-3-oxophenoxazine-1,9-dicarboxamide hydrochloride, 2-amino-6-chloro-1-N-[3-(dimethylamino)propyl]-4-methyl-3-oxophenoxazine-1,9-dicarboxamide,hydrochloride
| Molecular Formula | C20H23Cl2N5O4 |
|---|---|
| Molecular Weight | 467.11 g/mol |
| LogP | 2.03902 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.1127 |
| Heavy Atoms | 31 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 81325-75-9 |
|---|---|
| SMILES | CC1=C2C(=NC3=C(C=CC(=C3O2)Cl)C(=O)N)C(=C(C1=O)N)C(=O)NCCCN(C)C.Cl |
| InChIKey | YVQQJLVSHNAMFO-UHFFFAOYSA-N |
Product Overview
Benzyl-2,2,4,4-tetramethylpentanoate (CAS 81325-75-9), with molecular formula C20H23Cl2N5O4 and molecular weight 467.11 g/mol. IUPAC: 2-amino-6-chloro-1-N-[3-(dimethylamino)propyl]-4-methyl-3-oxophenoxazine-1,9-dicarboxamide;hydrochloride.
Chemical Property Profile of Benzyl-2,2,4,4-tetramethylpentanoate
Property Insights of Benzyl-2,2,4,4-tetramethylpentanoate
The XLogP value of 2.03902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl-2,2,4,4-tetramethylpentanoate. The TPSA of 140.0 Ų indicates high polarity, suggesting Benzyl-2,2,4,4-tetramethylpentanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyl-2,2,4,4-tetramethylpentanoate has 4 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 Benzyl-2,2,4,4-tetramethylpentanoate?
The CAS number of Benzyl-2,2,4,4-tetramethylpentanoate is 81325-75-9.
What is the molecular formula of Benzyl-2,2,4,4-tetramethylpentanoate?
The molecular formula of Benzyl-2,2,4,4-tetramethylpentanoate is C20H23Cl2N5O4.
What is the molecular weight of Benzyl-2,2,4,4-tetramethylpentanoate?
The molecular weight of Benzyl-2,2,4,4-tetramethylpentanoate is 467.11 g/mol.
Where can I buy Benzyl-2,2,4,4-tetramethylpentanoate?
You can request a quote for Benzyl-2,2,4,4-tetramethylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-2,2,4,4-tetramethylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-2,2,4,4-tetramethylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.