3-(4-Azidobenzoyloxy)diltiazem
TL;DR: 3-(4-Azidobenzoyloxy)diltiazem (CAS 128127-11-7) is a chemical compound with molecular formula C27H27N5O4S and molecular weight 517.1784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-azidobenzoate
Also Known As: 3-Abod, 3-(4-Azidobenzoyloxy)diltiazem, ((2S,3R)-3-(4-bromophenyl)oxiran-2-yl)(phenyl)methanone, [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-azidobenzoate, (2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl 4-azidobenzoate
Technical Specifications
| Molecular Formula | C27H27N5O4S |
| Molecular Weight | 517.1784 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 517.1784 Da |
| Heavy Atoms | 37 |
| Complexity | 822.0 |
| SMILES | CN(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)OC(=O)C3=CC=C(C=C3)N=[N+]=[N-])C4=CC=C(C=C4)OC |
| InChIKey | MPGFEEAANFEWIW-RPBOFIJWSA-N |
Chemical Property Profile of 3-(4-Azidobenzoyloxy)diltiazem
Property Insights of 3-(4-Azidobenzoyloxy)diltiazem
The XLogP value of 5.7 indicates that 3-(4-Azidobenzoyloxy)diltiazem is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Azidobenzoyloxy)diltiazem. Following Lipinski's Rule of Five, 3-(4-Azidobenzoyloxy)diltiazem has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(4-Azidobenzoyloxy)diltiazem?
The CAS number of 3-(4-Azidobenzoyloxy)diltiazem is 128127-11-7.
What is the molecular formula of 3-(4-Azidobenzoyloxy)diltiazem?
The molecular formula of 3-(4-Azidobenzoyloxy)diltiazem is C27H27N5O4S.
What is the molecular weight of 3-(4-Azidobenzoyloxy)diltiazem?
The molecular weight of 3-(4-Azidobenzoyloxy)diltiazem is 517.1784 g/mol.
Where can I buy 3-(4-Azidobenzoyloxy)diltiazem?
You can request a quote for 3-(4-Azidobenzoyloxy)diltiazem directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Azidobenzoyloxy)diltiazem?
Yes, CoreyChem provides custom synthesis services for 3-(4-Azidobenzoyloxy)diltiazem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.