Diltiazem Impurity 4
TL;DR: Diltiazem Impurity 4 (CAS 132830-17-2) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Also Known As: Diltiazem Impurity 4, Diltiazem Impurity 22, (2R,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one, trans-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one, (2R,3S)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 2.8416 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 656.8266 |
Chemical Identifiers
| CAS Number | 132830-17-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)NC3=CC=CC=C3S2)O |
Product Overview
Diltiazem Impurity 4 (CAS 132830-17-2), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: (2R,3S)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
Chemical Property Profile of Diltiazem Impurity 4
Property Insights of Diltiazem Impurity 4
The XLogP value of 2.8416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diltiazem Impurity 4. With a topological polar surface area (TPSA) of 58.56 Ų, Diltiazem Impurity 4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diltiazem Impurity 4 has 2 hydrogen bond donor(s) and 4 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 Impurity 4?
The CAS number of Diltiazem Impurity 4 is 132830-17-2.
What is the molecular formula of Diltiazem Impurity 4?
The molecular formula of Diltiazem Impurity 4 is C16H15NO3S.
What is the molecular weight of Diltiazem Impurity 4?
The molecular weight of Diltiazem Impurity 4 is 301.08 g/mol.
Where can I buy Diltiazem Impurity 4?
You can request a quote for Diltiazem Impurity 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diltiazem Impurity 4?
Yes, KEHONG BIO provides custom synthesis services for Diltiazem Impurity 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.