BRN 0828963
TL;DR: BRN 0828963 (CAS 65647-13-4) is a chemical compound with molecular formula C20H25N3O and molecular weight 323.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(dimethylamino)propan-2-yl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one
Also Known As: 5-24-02-00480 (Beilstein Handbook Reference), 5H-1,4-Benzodiazepin-5-one, 1,2,3,4-tetrahydro-4-(2-(dimethylamino)-1-methylethyl)-1-phenyl-, 1-(3-Dimethylaminoprop-2-yl)-1-phenyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one, 4-(3-Dimethylaminopropan-2-yl)-1-phenyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one, 4-[1-(Dimethylamino)propan-2-yl]-1-phenyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
| Molecular Formula | C20H25N3O |
|---|---|
| Molecular Weight | 323.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.19977 |
| Heavy Atoms | 24 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 65647-13-4 |
|---|---|
| SMILES | CC(CN(C)C)N1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3 |
| InChIKey | WXTJBKDLQKUHJN-UHFFFAOYSA-N |
Product Overview
BRN 0828963 (CAS 65647-13-4), with molecular formula C20H25N3O and molecular weight 323.20 g/mol. IUPAC: 4-[1-(dimethylamino)propan-2-yl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one.
Chemical Property Profile of BRN 0828963
Property Insights of BRN 0828963
The XLogP value of 3.3 indicates that BRN 0828963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.8 Ų, BRN 0828963 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRN 0828963 has 0 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 BRN 0828963?
The CAS number of BRN 0828963 is 65647-13-4.
What is the molecular formula of BRN 0828963?
The molecular formula of BRN 0828963 is C20H25N3O.
What is the molecular weight of BRN 0828963?
The molecular weight of BRN 0828963 is 323.20 g/mol.
Where can I buy BRN 0828963?
You can request a quote for BRN 0828963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0828963?
Yes, KEHONG BIO provides custom synthesis services for BRN 0828963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.