BRN 0712477
TL;DR: BRN 0712477 (CAS 54951-32-5) is a chemical compound with molecular formula C20H20ClN3O and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,5-dihydro-3H-1-benzazepin-2-one
Also Known As: 5-25-09-00369 (Beilstein Handbook Reference), 3-(p-Chlorophenyl)-1-(2-imidazolin-2-yl)methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one, 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-3-(p-chlorophenyl)-1-(2-imidazolin-2-yl)methyl-, 3-(4-chlorophenyl)-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,5-dihydro-3H-1-benzazepin-2-one, 1H-1-Benzazepin-2-one,2,3,4,5-tetrahydro-1-(2-(diisopropylamino)ethyl)-8-methoxy
| Molecular Formula | C20H20ClN3O |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.1295 |
| Heavy Atoms | 25 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 54951-32-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C(=O)C1C3=CC=C(C=C3)Cl)CC4=NCCN4 |
| InChIKey | XQKDTERCKFKPDY-UHFFFAOYSA-N |
Product Overview
BRN 0712477 (CAS 54951-32-5), with molecular formula C20H20ClN3O and molecular weight 353.13 g/mol. IUPAC: 3-(4-chlorophenyl)-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,5-dihydro-3H-1-benzazepin-2-one.
Chemical Property Profile of BRN 0712477
Property Insights of BRN 0712477
The XLogP value of 3.0 indicates that BRN 0712477 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, BRN 0712477 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRN 0712477 has 1 hydrogen bond donor(s) and 2 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 0712477?
The CAS number of BRN 0712477 is 54951-32-5.
What is the molecular formula of BRN 0712477?
The molecular formula of BRN 0712477 is C20H20ClN3O.
What is the molecular weight of BRN 0712477?
The molecular weight of BRN 0712477 is 353.13 g/mol.
Where can I buy BRN 0712477?
You can request a quote for BRN 0712477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0712477?
Yes, KEHONG BIO provides custom synthesis services for BRN 0712477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.