trans-Tubulozole
TL;DR: trans-Tubulozole (CAS 95480-32-3) 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-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate
Also Known As: trans-Tubulozole, Tubulozole T, Tubulazole, R 48265, R 64181
| 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 | 95480-32-3 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=C(C=C1)SC[C@@H]2CO[C@](O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl |
| InChIKey | OGPIBXIQNMQSPY-MBSDFSHPSA-N |
Product Overview
trans-Tubulozole (CAS 95480-32-3), with molecular formula C23H23Cl2N3O4S and molecular weight 507.08 g/mol. IUPAC: ethyl N-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate.
Chemical Property Profile of trans-Tubulozole
Property Insights of trans-Tubulozole
The XLogP value of 5.4 indicates that trans-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 trans-Tubulozole. Following Lipinski's Rule of Five, trans-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 trans-Tubulozole?
The CAS number of trans-Tubulozole is 95480-32-3.
What is the molecular formula of trans-Tubulozole?
The molecular formula of trans-Tubulozole is C23H23Cl2N3O4S.
What is the molecular weight of trans-Tubulozole?
The molecular weight of trans-Tubulozole is 507.08 g/mol.
Where can I buy trans-Tubulozole?
You can request a quote for trans-Tubulozole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Tubulozole?
Yes, KEHONG BIO provides custom synthesis services for trans-Tubulozole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.