Tombozine
TL;DR: Tombozine (CAS 604-99-9) is a chemical compound with molecular formula C19H22N2O and molecular weight 294.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,12S,14S)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
Also Known As: Tombozine, 16-Epikoumidine, [(1S,12S,14S,15E)-15-ETHYLIDENE-3,17-DIAZAPENTACYCLO[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]OCTADECA-2(10),4,6,8-TETRAEN-13-YL]METHANOL
| Molecular Formula | C19H22N2O |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.17322 |
| Heavy Atoms | 22 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 604-99-9 |
|---|---|
| SMILES | CC=C1CN2[C@H]3C[C@H]1C([C@@H]2CC4=C3NC5=CC=CC=C45)CO |
| InChIKey | VXTDUGOBAOLMED-YQFGMBEVSA-N |
Product Overview
Tombozine (CAS 604-99-9), with molecular formula C19H22N2O and molecular weight 294.17 g/mol. IUPAC: [(1S,12S,14S)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol.
Chemical Property Profile of Tombozine
Property Insights of Tombozine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tombozine. With a topological polar surface area (TPSA) of 39.3 Ų, Tombozine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tombozine has 2 hydrogen bond donor(s) and 2 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 Tombozine?
The CAS number of Tombozine is 604-99-9.
What is the molecular formula of Tombozine?
The molecular formula of Tombozine is C19H22N2O.
What is the molecular weight of Tombozine?
The molecular weight of Tombozine is 294.17 g/mol.
Where can I buy Tombozine?
You can request a quote for Tombozine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tombozine?
Yes, KEHONG BIO provides custom synthesis services for Tombozine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.