BAS 13098996
TL;DR: BAS 13098996 (CAS 1005127-12-7) is a chemical compound with molecular formula C23H21NO5 and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-N-(4-phenacyloxyphenyl)-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
Also Known As: BAS 13098996, 2-oxo-N-[4-(2-oxo-2-phenylethoxy)phenyl]hexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamide, 2-oxo-N-(4-(2-oxo-2-phenylethoxy)phenyl)hexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamide
| Molecular Formula | C23H21NO5 |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 3.0844 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.14197 |
| Heavy Atoms | 29 |
| Complexity | 952.9933 |
Chemical Identifiers
| CAS Number | 1005127-12-7 |
|---|---|
| SMILES | C1C2CC3C1C(C2C(=O)NC4=CC=C(C=C4)OCC(=O)C5=CC=CC=C5)C(=O)O3 |
Product Overview
BAS 13098996 (CAS 1005127-12-7), with molecular formula C23H21NO5 and molecular weight 391.14 g/mol. IUPAC: 5-oxo-N-(4-phenacyloxyphenyl)-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.
Chemical Property Profile of BAS 13098996
Property Insights of BAS 13098996
The XLogP value of 3.0844 indicates that BAS 13098996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13098996. Following Lipinski's Rule of Five, BAS 13098996 has 1 hydrogen bond donor(s) and 5 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 13098996?
The CAS number of BAS 13098996 is 1005127-12-7.
What is the molecular formula of BAS 13098996?
The molecular formula of BAS 13098996 is C23H21NO5.
What is the molecular weight of BAS 13098996?
The molecular weight of BAS 13098996 is 391.14 g/mol.
Where can I buy BAS 13098996?
You can request a quote for BAS 13098996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13098996?
Yes, KEHONG BIO provides custom synthesis services for BAS 13098996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.