N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid
TL;DR: N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid (CAS 67937-86-4) is a chemical compound with molecular formula C16H25N3O3S and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid
Also Known As: N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine,me, Methanesulfonic acid--N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine (1/1), methanesulfonic acid; 7-phenyl-N-tert-butyl-2,3-dihydro-1H-1,4-diazepin-5-amine, N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine; methanesulfonic acid, N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid
| Molecular Formula | C16H25N3O3S |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | 1.9213 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.16165 |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 67937-86-4 |
|---|---|
| SMILES | CC(C)(C)NC1=NCCNC(=C1)C2=CC=CC=C2.CS(=O)(=O)O |
| InChIKey | QAROCPJEUJODHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid (CAS 67937-86-4), with molecular formula C16H25N3O3S and molecular weight 339.16 g/mol. IUPAC: N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid.
Chemical Property Profile of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid
Property Insights of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid
The XLogP value of 1.9213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid. Following Lipinski's Rule of Five, N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid has 3 hydrogen bond donor(s) and 5 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 N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid?
The CAS number of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid is 67937-86-4.
What is the molecular formula of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid?
The molecular formula of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid is C16H25N3O3S.
What is the molecular weight of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid?
The molecular weight of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid is 339.16 g/mol.
Where can I buy N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid?
You can request a quote for N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine;methanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.