PR-imine
TL;DR: PR-imine (CAS 56349-49-6) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-hydroxy-1,5,15-trimethyl-4,12-dioxa-7-azapentacyclo[8.5.0.03,5.03,8.011,13]pentadeca-7,9-dien-14-yl) acetate
Also Known As: PR-Imine, PR Toxin imine, (6-hydroxy-1,5,15-trimethyl-4,12-dioxa-7-azapentacyclo[8.5.0.03,5.03,8.011,13]pentadeca-7,9-dien-14-yl) acetate, 3-(Trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine, 2-hydroxy-1a,7,7a-trimethyl-1a,2,4b,5a,6,7,7a,8-octahydro[1]benzoxireno[3,2-f]oxireno[c]indol-6-yl acetate
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 56349-49-6 |
|---|---|
| SMILES | CC1C(C2C(O2)C3=CC4=NC(C5(C4(O5)CC13C)C)O)OC(=O)C |
| InChIKey | SBGVOJKUHUEKNQ-UHFFFAOYSA-N |
Product Overview
PR-imine (CAS 56349-49-6), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: (6-hydroxy-1,5,15-trimethyl-4,12-dioxa-7-azapentacyclo[8.5.0.03,5.03,8.011,13]pentadeca-7,9-dien-14-yl) acetate.
Chemical Property Profile of PR-imine
Property Insights of PR-imine
The XLogP value of -0.2 indicates that PR-imine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PR-imine. Following Lipinski's Rule of Five, PR-imine 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 PR-imine?
The CAS number of PR-imine is 56349-49-6.
What is the molecular formula of PR-imine?
The molecular formula of PR-imine is C17H21NO5.
What is the molecular weight of PR-imine?
The molecular weight of PR-imine is 319.14 g/mol.
Where can I buy PR-imine?
You can request a quote for PR-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PR-imine?
Yes, KEHONG BIO provides custom synthesis services for PR-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.