Pretazettine
TL;DR: Pretazettine (CAS 17322-84-8) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol
Also Known As: Pretazettine, isotazettine, (+)-Pretazettine, methoxy(methyl)[?]ol, PRETAZZETINE HYDROCHLORIDE
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 17322-84-8 |
|---|---|
| SMILES | CN1C[C@H]2[C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4[C@@H](O2)O)OCO5 |
| InChIKey | KLJOYDMUWKSYBP-YNBLHMCPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pretazettine (CAS 17322-84-8), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: (1S,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol.
Chemical Property Profile of Pretazettine
Property Insights of Pretazettine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pretazettine. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pretazettine. Following Lipinski's Rule of Five, Pretazettine has 1 hydrogen bond donor(s) and 6 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 Pretazettine?
The CAS number of Pretazettine is 17322-84-8.
What is the molecular formula of Pretazettine?
The molecular formula of Pretazettine is C18H21NO5.
What is the molecular weight of Pretazettine?
The molecular weight of Pretazettine is 331.14 g/mol.
Where can I buy Pretazettine?
You can request a quote for Pretazettine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pretazettine?
Yes, KEHONG BIO provides custom synthesis services for Pretazettine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.