Batebulast hydrochloride
TL;DR: Batebulast hydrochloride (CAS 83373-31-3) is a chemical compound with molecular formula C19H30ClN3O2 and molecular weight 367.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate;hydrochloride
Also Known As: Batebulast hydrochloride, Nco 650, Batebulast hydrochloride (JAN), BATEBULAST HYDROCHLORIDE [JAN], NCO 650, monohydrochloride, (trans)-isomer
| Molecular Formula | C19H30ClN3O2 |
|---|---|
| Molecular Weight | 367.20 g/mol |
| LogP | 3.3911 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.20267 |
| Heavy Atoms | 25 |
| Complexity | 581.68195 |
Chemical Identifiers
| CAS Number | 83373-31-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN=C(N)N.Cl |
Product Overview
Batebulast hydrochloride (CAS 83373-31-3), with molecular formula C19H30ClN3O2 and molecular weight 367.20 g/mol. IUPAC: (4-tert-butylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate;hydrochloride.
Chemical Property Profile of Batebulast hydrochloride
Property Insights of Batebulast hydrochloride
The XLogP value of 3.3911 indicates that Batebulast hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Batebulast hydrochloride. Following Lipinski's Rule of Five, Batebulast hydrochloride has 2 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 Batebulast hydrochloride?
The CAS number of Batebulast hydrochloride is 83373-31-3.
What is the molecular formula of Batebulast hydrochloride?
The molecular formula of Batebulast hydrochloride is C19H30ClN3O2.
What is the molecular weight of Batebulast hydrochloride?
The molecular weight of Batebulast hydrochloride is 367.20 g/mol.
Where can I buy Batebulast hydrochloride?
You can request a quote for Batebulast hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Batebulast hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Batebulast hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.