BAS 00314383
TL;DR: BAS 00314383 (CAS 330977-79-2) is a chemical compound with molecular formula C25H21BrN2O3 and molecular weight 476.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromo-3-nitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: BAS 00314383, 5-(4-bromo-3-nitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, A1879/0079091, 5-(4-bromo-3-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one, 5-{4-bromo-3-nitrophenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
| Molecular Formula | C25H21BrN2O3 |
|---|---|
| Molecular Weight | 476.07 g/mol |
| LogP | 6.82 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 476.07355 |
| Heavy Atoms | 31 |
| Complexity | 1309.365 |
Chemical Identifiers
| CAS Number | 330977-79-2 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)Br)[N+](=O)[O-])C(=O)C1)C |
Product Overview
BAS 00314383 (CAS 330977-79-2), with molecular formula C25H21BrN2O3 and molecular weight 476.07 g/mol. IUPAC: 5-(4-bromo-3-nitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of BAS 00314383
Property Insights of BAS 00314383
The XLogP value of 6.82 indicates that BAS 00314383 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00314383. Following Lipinski's Rule of Five, BAS 00314383 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00314383?
The CAS number of BAS 00314383 is 330977-79-2.
What is the molecular formula of BAS 00314383?
The molecular formula of BAS 00314383 is C25H21BrN2O3.
What is the molecular weight of BAS 00314383?
The molecular weight of BAS 00314383 is 476.07 g/mol.
Where can I buy BAS 00314383?
You can request a quote for BAS 00314383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00314383?
Yes, KEHONG BIO provides custom synthesis services for BAS 00314383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.