雷尼替丁
TL;DR: 雷尼替丁 (CAS 66357-35-5) is a chemical compound with molecular formula C13H22N4O3S and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雷尼替丁
1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
Also Known As: ranitidine, Ranitidina, Ranitidine Base, Ranitidine-d6, Gastrosedol
| Molecular Formula | C13H22N4O3S |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 314.14127 |
| Heavy Atoms | 21 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 66357-35-5 |
|---|---|
| SMILES | CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C |
| InChIKey | VMXUWOKSQNHOCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
雷尼替丁 (CAS 66357-35-5), with molecular formula C13H22N4O3S and molecular weight 314.14 g/mol. IUPAC: 1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine.
Chemical Property Profile of 雷尼替丁
Property Insights of 雷尼替丁
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 雷尼替丁. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 雷尼替丁. Following Lipinski's Rule of Five, 雷尼替丁 has 2 hydrogen bond donor(s) and 7 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 雷尼替丁?
The CAS number of 雷尼替丁 is 66357-35-5.
What is the molecular formula of 雷尼替丁?
The molecular formula of 雷尼替丁 is C13H22N4O3S.
What is the molecular weight of 雷尼替丁?
The molecular weight of 雷尼替丁 is 314.14 g/mol.
Where can I buy 雷尼替丁?
You can request a quote for 雷尼替丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 雷尼替丁?
Yes, KEHONG BIO provides custom synthesis services for 雷尼替丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.