TOS-BB-0871
TL;DR: TOS-BB-0871 (CAS 191595-63-8) is a chemical compound with molecular formula C14H13NO4S and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: TOS-BB-0871, 1-oxo-2-(thiophen-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, BAS 06763220, 2-hydroxy-6-(trifluoromethyl)nicotinic acid, 4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 1.1147 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.05652 |
| Heavy Atoms | 20 |
| Complexity | 610.6999 |
Chemical Identifiers
| CAS Number | 191595-63-8 |
|---|---|
| SMILES | C1C23C=CC(O2)C(C3C(=O)N1CC4=CC=CS4)C(=O)O |
Product Overview
TOS-BB-0871 (CAS 191595-63-8), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: 4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of TOS-BB-0871
Property Insights of TOS-BB-0871
The XLogP value of 1.1147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TOS-BB-0871. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for TOS-BB-0871. Following Lipinski's Rule of Five, TOS-BB-0871 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 TOS-BB-0871?
The CAS number of TOS-BB-0871 is 191595-63-8.
What is the molecular formula of TOS-BB-0871?
The molecular formula of TOS-BB-0871 is C14H13NO4S.
What is the molecular weight of TOS-BB-0871?
The molecular weight of TOS-BB-0871 is 291.06 g/mol.
Where can I buy TOS-BB-0871?
You can request a quote for TOS-BB-0871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TOS-BB-0871?
Yes, KEHONG BIO provides custom synthesis services for TOS-BB-0871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.