4-Desmethoxy-4-chloro Omeprazole Sulfide
TL;DR: 4-Desmethoxy-4-chloro Omeprazole Sulfide (CAS 220757-74-4) is a chemical compound with molecular formula C16H16ClN3OS and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
Also Known As: 4-Desmethoxy-4-chloro Omeprazole Sulfide, Omeprazole Impurity Q, Omeprazole Impurity 13, Omeprazole Impurity 29, BEN502
| Molecular Formula | C16H16ClN3OS |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 4.52904 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.07025 |
| Heavy Atoms | 22 |
| Complexity | 831.61414 |
Chemical Identifiers
| CAS Number | 220757-74-4 |
|---|---|
| SMILES | CC1=CN=C(C(=C1Cl)C)CSC2=NC3=C(N2)C=C(C=C3)OC |
Product Overview
4-Desmethoxy-4-chloro Omeprazole Sulfide (CAS 220757-74-4), with molecular formula C16H16ClN3OS and molecular weight 333.07 g/mol. IUPAC: 2-[(4-chloro-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-6-methoxy-1H-benzimidazole.
Chemical Property Profile of 4-Desmethoxy-4-chloro Omeprazole Sulfide
Property Insights of 4-Desmethoxy-4-chloro Omeprazole Sulfide
The XLogP value of 4.52904 indicates that 4-Desmethoxy-4-chloro Omeprazole Sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 4-Desmethoxy-4-chloro Omeprazole Sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Desmethoxy-4-chloro Omeprazole Sulfide has 1 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 4-Desmethoxy-4-chloro Omeprazole Sulfide?
The CAS number of 4-Desmethoxy-4-chloro Omeprazole Sulfide is 220757-74-4.
What is the molecular formula of 4-Desmethoxy-4-chloro Omeprazole Sulfide?
The molecular formula of 4-Desmethoxy-4-chloro Omeprazole Sulfide is C16H16ClN3OS.
What is the molecular weight of 4-Desmethoxy-4-chloro Omeprazole Sulfide?
The molecular weight of 4-Desmethoxy-4-chloro Omeprazole Sulfide is 333.07 g/mol.
Where can I buy 4-Desmethoxy-4-chloro Omeprazole Sulfide?
You can request a quote for 4-Desmethoxy-4-chloro Omeprazole Sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Desmethoxy-4-chloro Omeprazole Sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Desmethoxy-4-chloro Omeprazole Sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.