BAS 00801747
TL;DR: BAS 00801747 (CAS 313395-40-3) is a chemical compound with molecular formula C21H22BrN3O3 and molecular weight 443.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-4-(2-morpholin-4-ylacetyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: BAS 00801747, 7-bromo-4-(2-morpholin-4-ylacetyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 7-bromo-4-(2-morpholin-4-ylacetyl)-5-phenyl-1H,3H,5H-benzo[f]1,4-diazepin-2-on e, 7-bromo-4-(2-morpholinoacetyl)-5-phenyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 7-bromo-4-(4-morpholinylacetyl)-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C21H22BrN3O3 |
|---|---|
| Molecular Weight | 443.08 g/mol |
| LogP | 2.6514 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.08444 |
| Heavy Atoms | 28 |
| Complexity | 868.45447 |
Chemical Identifiers
| CAS Number | 313395-40-3 |
|---|---|
| SMILES | C1COCCN1CC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br |
Product Overview
BAS 00801747 (CAS 313395-40-3), with molecular formula C21H22BrN3O3 and molecular weight 443.08 g/mol. IUPAC: 7-bromo-4-(2-morpholin-4-ylacetyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of BAS 00801747
Property Insights of BAS 00801747
The XLogP value of 2.6514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00801747. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00801747. Following Lipinski's Rule of Five, BAS 00801747 has 1 hydrogen bond donor(s) and 4 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 BAS 00801747?
The CAS number of BAS 00801747 is 313395-40-3.
What is the molecular formula of BAS 00801747?
The molecular formula of BAS 00801747 is C21H22BrN3O3.
What is the molecular weight of BAS 00801747?
The molecular weight of BAS 00801747 is 443.08 g/mol.
Where can I buy BAS 00801747?
You can request a quote for BAS 00801747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00801747?
Yes, KEHONG BIO provides custom synthesis services for BAS 00801747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.