BAS 00462470
TL;DR: BAS 00462470 (CAS 313650-45-2) is a chemical compound with molecular formula C25H23BrN2O5 and molecular weight 510.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-5-phenyl-4-(3,4,5-trimethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: BAS 00462470, 7-bromo-5-phenyl-4-(3,4,5-trimethoxybenzoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, 7-bromo-5-phenyl-4-(3,4,5-trimethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 7-BROMO-5-PHENYL-4-(3,4,5-TRIMETHOXYBENZOYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-2-ONE, 7-bromo-5-phenyl-4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
| Molecular Formula | C25H23BrN2O5 |
|---|---|
| Molecular Weight | 510.08 g/mol |
| LogP | 4.6588 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.07904 |
| Heavy Atoms | 33 |
| Complexity | 1173.6517 |
Chemical Identifiers
| CAS Number | 313650-45-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br |
Product Overview
BAS 00462470 (CAS 313650-45-2), with molecular formula C25H23BrN2O5 and molecular weight 510.08 g/mol. IUPAC: 7-bromo-5-phenyl-4-(3,4,5-trimethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of BAS 00462470
Property Insights of BAS 00462470
The XLogP value of 4.6588 indicates that BAS 00462470 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00462470. Following Lipinski's Rule of Five, BAS 00462470 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00462470?
The CAS number of BAS 00462470 is 313650-45-2.
What is the molecular formula of BAS 00462470?
The molecular formula of BAS 00462470 is C25H23BrN2O5.
What is the molecular weight of BAS 00462470?
The molecular weight of BAS 00462470 is 510.08 g/mol.
Where can I buy BAS 00462470?
You can request a quote for BAS 00462470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00462470?
Yes, KEHONG BIO provides custom synthesis services for BAS 00462470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.