Raunitidine
TL;DR: Raunitidine (CAS 14883-83-1) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15S,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
Also Known As: Raunitidine, Heterophyllin, methyl methoxy(methyl)[?]carboxylate, 4H-Indolo(2,3-a)pyrano(3,4-g)quinolizine-16-carboxylic acid, 4a,5,7,8,13,13b,14,14a-octahydro-11-methoxy-4-methyl-, methyl ester, Methyl 16,17-didehydro-11-methoxy-19-methyloxayohimban-16-carboxylate (19beta,20alpha)-
| Molecular Formula | C22H26N2O4 |
|---|---|
| Molecular Weight | 382.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.18927 |
| Heavy Atoms | 28 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 14883-83-1 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=C4C=CC(=C5)OC |
| InChIKey | KXEMQEGRZWUKJS-OVXHWVBHSA-N |
Product Overview
Raunitidine (CAS 14883-83-1), with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol. IUPAC: methyl (1S,15S,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate.
Chemical Property Profile of Raunitidine
Property Insights of Raunitidine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Raunitidine. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Raunitidine. Following Lipinski's Rule of Five, Raunitidine has 1 hydrogen bond donor(s) and 5 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 Raunitidine?
The CAS number of Raunitidine is 14883-83-1.
What is the molecular formula of Raunitidine?
The molecular formula of Raunitidine is C22H26N2O4.
What is the molecular weight of Raunitidine?
The molecular weight of Raunitidine is 382.19 g/mol.
Where can I buy Raunitidine?
You can request a quote for Raunitidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Raunitidine?
Yes, KEHONG BIO provides custom synthesis services for Raunitidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.