Tubulozole HCl
TL;DR: Tubulozole HCl (CAS 83529-08-2) is a chemical compound with molecular formula C23H24Cl3N3O4S and molecular weight 543.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate;hydrochloride
Also Known As: Tubulozole HCl, Tubulozole hydrochloride, Tubulozole hydrochloride (USAN), Tubulozole hydrochloride [USAN:INN], Ethyl {4-[({(2R,4R)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methyl)sulfanyl]phenyl}carbamate--hydrogen chloride (1/1)
| Molecular Formula | C23H24Cl3N3O4S |
|---|---|
| Molecular Weight | 543.06 g/mol |
| LogP | 6.2408 |
| Topological Polar Surface Area | 74.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.0553 |
| Heavy Atoms | 34 |
| Complexity | 1085.5742 |
Chemical Identifiers
| CAS Number | 83529-08-2 |
|---|---|
| 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.Cl |
Product Overview
Tubulozole HCl (CAS 83529-08-2), with molecular formula C23H24Cl3N3O4S and molecular weight 543.06 g/mol. IUPAC: ethyl N-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate;hydrochloride.
Chemical Property Profile of Tubulozole HCl
Property Insights of Tubulozole HCl
The XLogP value of 6.2408 indicates that Tubulozole HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Tubulozole HCl. Following Lipinski's Rule of Five, Tubulozole HCl 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 HCl?
The CAS number of Tubulozole HCl is 83529-08-2.
What is the molecular formula of Tubulozole HCl?
The molecular formula of Tubulozole HCl is C23H24Cl3N3O4S.
What is the molecular weight of Tubulozole HCl?
The molecular weight of Tubulozole HCl is 543.06 g/mol.
Where can I buy Tubulozole HCl?
You can request a quote for Tubulozole HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tubulozole HCl?
Yes, KEHONG BIO provides custom synthesis services for Tubulozole HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.