TOS-BB-0959
TL;DR: TOS-BB-0959 (CAS 5687-38-7) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propanoic acid
Also Known As: TOS-BB-0959, Cytisine, 12-(2-carboxyethyl)-, 3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)propanoic acid, 3-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)propanoic acid, 3-(6-Oxo-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propanoate
| Molecular Formula | C14H18N2O3 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 0.7421 |
| Topological Polar Surface Area | 62.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.13174 |
| Heavy Atoms | 19 |
| Complexity | 551.8672 |
Chemical Identifiers
| CAS Number | 5687-38-7 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)CCC(=O)O |
Product Overview
TOS-BB-0959 (CAS 5687-38-7), with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol. IUPAC: 3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propanoic acid.
Chemical Property Profile of TOS-BB-0959
Property Insights of TOS-BB-0959
The XLogP value of 0.7421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TOS-BB-0959. The TPSA of 62.54 Ų falls within the moderate polarity range, balancing permeability and solubility for TOS-BB-0959. Following Lipinski's Rule of Five, TOS-BB-0959 has 1 hydrogen bond donor(s) and 3 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-0959?
The CAS number of TOS-BB-0959 is 5687-38-7.
What is the molecular formula of TOS-BB-0959?
The molecular formula of TOS-BB-0959 is C14H18N2O3.
What is the molecular weight of TOS-BB-0959?
The molecular weight of TOS-BB-0959 is 262.13 g/mol.
Where can I buy TOS-BB-0959?
You can request a quote for TOS-BB-0959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TOS-BB-0959?
Yes, KEHONG BIO provides custom synthesis services for TOS-BB-0959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.