Naltiazem
TL;DR: Naltiazem (CAS 108383-95-5) is a chemical compound with molecular formula C26H28N2O4S and molecular weight 464.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate
Also Known As: Naltiazem, 4-Benzyloxy-2-chlor-pyrimidin, (+)-Ro-23-6152, (2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydronaphtho[1,2-b][1,4]thiazepin-3-yl acetate, [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate
| Molecular Formula | C26H28N2O4S |
|---|---|
| Molecular Weight | 464.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.17697 |
| Heavy Atoms | 33 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 108383-95-5 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC3=CC=CC=C32)N(C1=O)CCN(C)C)C4=CC=C(C=C4)OC |
| InChIKey | GWVJLVHNKMLXRM-RPWUZVMVSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naltiazem (CAS 108383-95-5), with molecular formula C26H28N2O4S and molecular weight 464.18 g/mol. IUPAC: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate.
Chemical Property Profile of Naltiazem
Property Insights of Naltiazem
The XLogP value of 4.3 indicates that Naltiazem is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Naltiazem. Following Lipinski's Rule of Five, Naltiazem has 0 hydrogen bond donor(s) and 6 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 Naltiazem?
The CAS number of Naltiazem is 108383-95-5.
What is the molecular formula of Naltiazem?
The molecular formula of Naltiazem is C26H28N2O4S.
What is the molecular weight of Naltiazem?
The molecular weight of Naltiazem is 464.18 g/mol.
Where can I buy Naltiazem?
You can request a quote for Naltiazem directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naltiazem?
Yes, KEHONG BIO provides custom synthesis services for Naltiazem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.