RefChem:268051
TL;DR: RefChem:268051 (CAS 118536-72-4) is a chemical compound with molecular formula C20H31N3O2 and molecular weight 345.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[bis(2-methylpropyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Also Known As: 5-Diisobutylaminoacetyl-4-methyl-1H-tetrahydro-1,5-benzodiazepin-2-one, 1,3,4,5-Tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-2H-1,5-benzodiazepin-2-one, 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, 5-[2-[bis(2-methylpropyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one, 2-[Bis(2-methylpropyl)amino]-1-(4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one
| Molecular Formula | C20H31N3O2 |
|---|---|
| Molecular Weight | 345.24 g/mol |
| LogP | 3.3643 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.24164 |
| Heavy Atoms | 25 |
| Complexity | 602.71375 |
Chemical Identifiers
| CAS Number | 118536-72-4 |
|---|---|
| SMILES | CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(CC(C)C)CC(C)C |
Product Overview
RefChem:268051 (CAS 118536-72-4), with molecular formula C20H31N3O2 and molecular weight 345.24 g/mol. IUPAC: 5-[2-[bis(2-methylpropyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
Chemical Property Profile of RefChem:268051
Property Insights of RefChem:268051
The XLogP value of 3.3643 indicates that RefChem:268051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, RefChem:268051 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268051 has 1 hydrogen bond donor(s) and 3 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 RefChem:268051?
The CAS number of RefChem:268051 is 118536-72-4.
What is the molecular formula of RefChem:268051?
The molecular formula of RefChem:268051 is C20H31N3O2.
What is the molecular weight of RefChem:268051?
The molecular weight of RefChem:268051 is 345.24 g/mol.
Where can I buy RefChem:268051?
You can request a quote for RefChem:268051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268051?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.