BAS 13096222
TL;DR: BAS 13096222 (CAS 1005094-88-1) is a chemical compound with molecular formula C16H16BrNO4 and molecular weight 365.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-methoxyphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
Also Known As: BAS 13096222, N-(4-bromo-2-methoxyphenyl)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamide, N-(4-bromo-2-methoxyphenyl)(4-oxo-5-oxatricyclo[4.2.1.0<3,7>]non-2-yl)carboxam ide, N-(4-bromo-2-methoxyphenyl)-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide, N-(4-bromo-2-methoxyphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
| Molecular Formula | C16H16BrNO4 |
|---|---|
| Molecular Weight | 365.03 g/mol |
| LogP | 2.5938 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.02628 |
| Heavy Atoms | 22 |
| Complexity | 659.54596 |
Chemical Identifiers
| CAS Number | 1005094-88-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)Br)NC(=O)C2C3CC4C2C(=O)OC4C3 |
Product Overview
BAS 13096222 (CAS 1005094-88-1), with molecular formula C16H16BrNO4 and molecular weight 365.03 g/mol. IUPAC: N-(4-bromo-2-methoxyphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.
Chemical Property Profile of BAS 13096222
Property Insights of BAS 13096222
The XLogP value of 2.5938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13096222. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13096222. Following Lipinski's Rule of Five, BAS 13096222 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 13096222?
The CAS number of BAS 13096222 is 1005094-88-1.
What is the molecular formula of BAS 13096222?
The molecular formula of BAS 13096222 is C16H16BrNO4.
What is the molecular weight of BAS 13096222?
The molecular weight of BAS 13096222 is 365.03 g/mol.
Where can I buy BAS 13096222?
You can request a quote for BAS 13096222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13096222?
Yes, KEHONG BIO provides custom synthesis services for BAS 13096222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.