N,N-Didesmethyldiltiazem
TL;DR: N,N-Didesmethyldiltiazem (CAS 115973-28-9) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S)-5-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Also Known As: N,N-Didesmethyldiltiazem, N,N-Didesmethyl Diltiazem, J2.923.038B, (2S,3S)-3-(Acetyloxy)-5-(2-aminoethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one, (2S,3S)-5-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 2.7656 |
| Topological Polar Surface Area | 81.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 824.9863 |
Chemical Identifiers
| CAS Number | 115973-28-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN)C3=CC=C(C=C3)OC |
Product Overview
N,N-Didesmethyldiltiazem (CAS 115973-28-9), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: [(2S,3S)-5-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate.
Chemical Property Profile of N,N-Didesmethyldiltiazem
Property Insights of N,N-Didesmethyldiltiazem
The XLogP value of 2.7656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Didesmethyldiltiazem. The TPSA of 81.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Didesmethyldiltiazem. Following Lipinski's Rule of Five, N,N-Didesmethyldiltiazem has 1 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 N,N-Didesmethyldiltiazem?
The CAS number of N,N-Didesmethyldiltiazem is 115973-28-9.
What is the molecular formula of N,N-Didesmethyldiltiazem?
The molecular formula of N,N-Didesmethyldiltiazem is C20H22N2O4S.
What is the molecular weight of N,N-Didesmethyldiltiazem?
The molecular weight of N,N-Didesmethyldiltiazem is 386.13 g/mol.
Where can I buy N,N-Didesmethyldiltiazem?
You can request a quote for N,N-Didesmethyldiltiazem directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Didesmethyldiltiazem?
Yes, KEHONG BIO provides custom synthesis services for N,N-Didesmethyldiltiazem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.