I.S. 3232
TL;DR: I.S. 3232 (CAS 4478-44-8) is a chemical compound with molecular formula C25H32ClN2O3- and molecular weight 443.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one chloride
Also Known As: I.S. 3232, 3,7-Bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazabicyclo(3.3.1)nonan-9-one hydrochloride, 1,5-Difenil-3,7-di-(gamma-idrossipropil)-bispidid-9-oni cloridrato [Italian], 1,5-Difenil-3,7-di-(gamma-idrossipropil)-bispidid-9-oni cloridrato, 3,7-Diazabicyclo(3.3.1)nonan-9-one, 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-, hydrochloride
| Molecular Formula | C25H32ClN2O3- |
|---|---|
| Molecular Weight | 443.21 g/mol |
| LogP | -1.17 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.21014 |
| Heavy Atoms | 31 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 4478-44-8 |
|---|---|
| SMILES | C1C2(CN(CC(C2=O)(CN1CCCO)C3=CC=CC=C3)CCCO)C4=CC=CC=C4.[Cl-] |
| InChIKey | LLINUAWMRJXACM-UHFFFAOYSA-M |
Product Overview
I.S. 3232 (CAS 4478-44-8), with molecular formula C25H32ClN2O3- and molecular weight 443.21 g/mol. IUPAC: 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one chloride.
Chemical Property Profile of I.S. 3232
Property Insights of I.S. 3232
The XLogP value of -1.17 indicates that I.S. 3232 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for I.S. 3232. Following Lipinski's Rule of Five, I.S. 3232 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 I.S. 3232?
The CAS number of I.S. 3232 is 4478-44-8.
What is the molecular formula of I.S. 3232?
The molecular formula of I.S. 3232 is C25H32ClN2O3-.
What is the molecular weight of I.S. 3232?
The molecular weight of I.S. 3232 is 443.21 g/mol.
Where can I buy I.S. 3232?
You can request a quote for I.S. 3232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I.S. 3232?
Yes, KEHONG BIO provides custom synthesis services for I.S. 3232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.