RefChem:311409
TL;DR: RefChem:311409 (CAS 84132-04-7) is a chemical compound with molecular formula C16H17BrN2O5 and molecular weight 396.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-6-methyl-3-oxa-6-aza-11-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;2-hydroxy-2-oxoacetate
Also Known As: 7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-5-bromo-7-methyl-, oxalate, (+-)-(6-ars,10-ars)-, 7H-INDOLO(3,4-gh)(1,4)BENZOXAZINE, 4,6,6a,8,9,10a-HEXAHYDRO-5-BROMO-7-METHYL-, O, RefChem:311409
| Molecular Formula | C16H17BrN2O5 |
|---|---|
| Molecular Weight | 396.03 g/mol |
| LogP | -0.45 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 396.03207 |
| Heavy Atoms | 24 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 84132-04-7 |
|---|---|
| SMILES | CN1CCOC2C1CC3=C([NH2+]C4=CC=CC2=C34)Br.C(=O)(C(=O)[O-])O |
| InChIKey | KISVIJFFQBRCCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:311409 (CAS 84132-04-7), with molecular formula C16H17BrN2O5 and molecular weight 396.03 g/mol. IUPAC: 10-bromo-6-methyl-3-oxa-6-aza-11-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:311409
Property Insights of RefChem:311409
The XLogP value of -0.45 indicates that RefChem:311409 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:311409. Following Lipinski's Rule of Five, RefChem:311409 has 2 hydrogen bond donor(s) and 6 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 RefChem:311409?
The CAS number of RefChem:311409 is 84132-04-7.
What is the molecular formula of RefChem:311409?
The molecular formula of RefChem:311409 is C16H17BrN2O5.
What is the molecular weight of RefChem:311409?
The molecular weight of RefChem:311409 is 396.03 g/mol.
Where can I buy RefChem:311409?
You can request a quote for RefChem:311409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311409?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.