TOS-BB-0872
TL;DR: TOS-BB-0872 (CAS 4757-81-7) is a chemical compound with molecular formula C14H19ClN2O2 and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3-chloro-2-hydroxypropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: TOS-BB-0872, 3-(3-chloro-2-hydroxypropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, 11-(3-CHLORO-2-HYDROXYPROPYL)-7,11-DIAZATRICYCLO[7.3.1.0(2),?]TRIDECA-2,4-DIEN-6-ONE, 11-(3-chloro-2-hydroxy-propyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one, 11-(3-chloro-2-hydroxypropyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
| Molecular Formula | C14H19ClN2O2 |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 0.8671 |
| Topological Polar Surface Area | 45.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.1135 |
| Heavy Atoms | 19 |
| Complexity | 516.4126 |
Chemical Identifiers
| CAS Number | 4757-81-7 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)CC(CCl)O |
Product Overview
TOS-BB-0872 (CAS 4757-81-7), with molecular formula C14H19ClN2O2 and molecular weight 282.11 g/mol. IUPAC: 11-(3-chloro-2-hydroxypropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of TOS-BB-0872
Property Insights of TOS-BB-0872
The XLogP value of 0.8671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TOS-BB-0872. With a topological polar surface area (TPSA) of 45.47 Ų, TOS-BB-0872 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TOS-BB-0872 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-0872?
The CAS number of TOS-BB-0872 is 4757-81-7.
What is the molecular formula of TOS-BB-0872?
The molecular formula of TOS-BB-0872 is C14H19ClN2O2.
What is the molecular weight of TOS-BB-0872?
The molecular weight of TOS-BB-0872 is 282.11 g/mol.
Where can I buy TOS-BB-0872?
You can request a quote for TOS-BB-0872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TOS-BB-0872?
Yes, KEHONG BIO provides custom synthesis services for TOS-BB-0872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.