罗沙替丁
TL;DR: 罗沙替丁 (CAS 78273-80-0) is a chemical compound with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
罗沙替丁
2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Also Known As: Roxit, Roxatidina, Desacetyl-tzu-0460, Roxatidinum, Roxatidine HCl
| Molecular Formula | C17H26N2O3 |
|---|---|
| Molecular Weight | 306.19 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 306.19434 |
| Heavy Atoms | 22 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 78273-80-0 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CO |
| InChIKey | BCCREUFCSIMJFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
罗沙替丁 (CAS 78273-80-0), with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol. IUPAC: 2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide.
Chemical Property Profile of 罗沙替丁
Property Insights of 罗沙替丁
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 罗沙替丁. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 罗沙替丁. Following Lipinski's Rule of Five, 罗沙替丁 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 罗沙替丁?
The CAS number of 罗沙替丁 is 78273-80-0.
What is the molecular formula of 罗沙替丁?
The molecular formula of 罗沙替丁 is C17H26N2O3.
What is the molecular weight of 罗沙替丁?
The molecular weight of 罗沙替丁 is 306.19 g/mol.
Where can I buy 罗沙替丁?
You can request a quote for 罗沙替丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 罗沙替丁?
Yes, KEHONG BIO provides custom synthesis services for 罗沙替丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.