diltiazem
TL;DR: diltiazem (CAS 111188-70-6) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Also Known As: diltiazem, l-trans-Diltiazem, Diltiazem Impurity 13, (2S,3R)-5-(2-(Dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate, [(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
| Molecular Formula | C22H26N2O4S |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 3.3685 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.16132 |
| Heavy Atoms | 29 |
| Complexity | 869.3709 |
Chemical Identifiers
| CAS Number | 111188-70-6 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC |
Product Overview
diltiazem (CAS 111188-70-6), with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol. IUPAC: [(2S,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate.
Chemical Property Profile of diltiazem
Property Insights of diltiazem
The XLogP value of 3.3685 indicates that diltiazem is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, diltiazem exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diltiazem 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 diltiazem?
The CAS number of diltiazem is 111188-70-6.
What is the molecular formula of diltiazem?
The molecular formula of diltiazem is C22H26N2O4S.
What is the molecular weight of diltiazem?
The molecular weight of diltiazem is 414.16 g/mol.
Where can I buy diltiazem?
You can request a quote for diltiazem directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diltiazem?
Yes, KEHONG BIO provides custom synthesis services for diltiazem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.