Tubulozole
TL;DR: Tubulozole (CAS 84697-22-3) is a chemical compound with molecular formula C23H23Cl2N3O4S and molecular weight 507.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate
Also Known As: Tubulozole, Tubulazole, Tubulozol, trans-Tubulozole, Tubulozole T
| Molecular Formula | C23H23Cl2N3O4S |
|---|---|
| Molecular Weight | 507.08 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 507.07864 |
| Heavy Atoms | 33 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 84697-22-3 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=C(C=C1)SCC2COC(O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl |
| InChIKey | OGPIBXIQNMQSPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tubulozole (CAS 84697-22-3), with molecular formula C23H23Cl2N3O4S and molecular weight 507.08 g/mol. IUPAC: ethyl N-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate.
Chemical Property Profile of Tubulozole
Property Insights of Tubulozole
The XLogP value of 5.4 indicates that Tubulozole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tubulozole. Following Lipinski's Rule of Five, Tubulozole has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tubulozole?
The CAS number of Tubulozole is 84697-22-3.
What is the molecular formula of Tubulozole?
The molecular formula of Tubulozole is C23H23Cl2N3O4S.
What is the molecular weight of Tubulozole?
The molecular weight of Tubulozole is 507.08 g/mol.
Where can I buy Tubulozole?
You can request a quote for Tubulozole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tubulozole?
Yes, KEHONG BIO provides custom synthesis services for Tubulozole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.