BAS 04880665
TL;DR: BAS 04880665 (CAS 436810-98-9) is a chemical compound with molecular formula C16H15NO4 and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5S,6S,7S)-3-(2-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: BAS 04880665, 4-Oxo-3-o-tolyl-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid
| Molecular Formula | C16H15NO4 |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.1001 |
| Heavy Atoms | 21 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 436810-98-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C[C@]34C=C[C@H](O3)[C@H]([C@@H]4C2=O)C(=O)O |
| InChIKey | VYOXIQJGYVCXOY-VLXAULBPSA-N |
Product Overview
BAS 04880665 (CAS 436810-98-9), with molecular formula C16H15NO4 and molecular weight 285.10 g/mol. IUPAC: (1R,5S,6S,7S)-3-(2-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of BAS 04880665
Property Insights of BAS 04880665
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04880665. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04880665. Following Lipinski's Rule of Five, BAS 04880665 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 04880665?
The CAS number of BAS 04880665 is 436810-98-9.
What is the molecular formula of BAS 04880665?
The molecular formula of BAS 04880665 is C16H15NO4.
What is the molecular weight of BAS 04880665?
The molecular weight of BAS 04880665 is 285.10 g/mol.
Where can I buy BAS 04880665?
You can request a quote for BAS 04880665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04880665?
Yes, KEHONG BIO provides custom synthesis services for BAS 04880665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.