Pretazettine hydrochloride
TL;DR: Pretazettine hydrochloride (CAS 17322-85-9) is a chemical compound with molecular formula C18H22ClNO5 and molecular weight 367.12 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;hydrochloride
Also Known As: PTZ hydrochloride, Pretazettine hydrochloride, Pretazettine, hydrochloride, Pretazettin-hydrochlorid, KST-1A2057
| Molecular Formula | C18H22ClNO5 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 1.75 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 367.11865 |
| Heavy Atoms | 25 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 17322-85-9 |
|---|---|
| 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.Cl |
| InChIKey | YHHPTRFYYPGNIO-WRDXNDLCSA-N |
Product Overview
Pretazettine hydrochloride (CAS 17322-85-9), with molecular formula C18H22ClNO5 and molecular weight 367.12 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;hydrochloride.
Chemical Property Profile of Pretazettine hydrochloride
Property Insights of Pretazettine hydrochloride
The XLogP value of 1.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pretazettine hydrochloride. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pretazettine hydrochloride. Following Lipinski's Rule of Five, Pretazettine hydrochloride has 2 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 hydrochloride?
The CAS number of Pretazettine hydrochloride is 17322-85-9.
What is the molecular formula of Pretazettine hydrochloride?
The molecular formula of Pretazettine hydrochloride is C18H22ClNO5.
What is the molecular weight of Pretazettine hydrochloride?
The molecular weight of Pretazettine hydrochloride is 367.12 g/mol.
Where can I buy Pretazettine hydrochloride?
You can request a quote for Pretazettine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pretazettine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pretazettine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.