BAS 00337575
TL;DR: BAS 00337575 (CAS 223536-40-1) is a chemical compound with molecular formula C13H24N4O6 and molecular weight 332.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(2-hydroxyethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanol
Also Known As: BAS 00337575, AE-848/31945033, 2,2'-(9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane-3,7-diyl)diethanol, 2-[3-(2-hydroxyethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethanol, 2-{7-(2-hydroxyethyl)-1,5-bisnitro-9,9-dimethyl-3,7-diazabicyclo[3.3.1]non-3-yl}ethanol
| Molecular Formula | C13H24N4O6 |
|---|---|
| Molecular Weight | 332.17 g/mol |
| LogP | -1.3406 |
| Topological Polar Surface Area | 133.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.1696 |
| Heavy Atoms | 23 |
| Complexity | 442.8564 |
Chemical Identifiers
| CAS Number | 223536-40-1 |
|---|---|
| SMILES | CC1(C2(CN(CC1(CN(C2)CCO)[N+](=O)[O-])CCO)[N+](=O)[O-])C |
Product Overview
BAS 00337575 (CAS 223536-40-1), with molecular formula C13H24N4O6 and molecular weight 332.17 g/mol. IUPAC: 2-[7-(2-hydroxyethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanol.
Chemical Property Profile of BAS 00337575
Property Insights of BAS 00337575
The XLogP value of -1.3406 indicates that BAS 00337575 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00337575. Following Lipinski's Rule of Five, BAS 00337575 has 2 hydrogen bond donor(s) and 8 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 BAS 00337575?
The CAS number of BAS 00337575 is 223536-40-1.
What is the molecular formula of BAS 00337575?
The molecular formula of BAS 00337575 is C13H24N4O6.
What is the molecular weight of BAS 00337575?
The molecular weight of BAS 00337575 is 332.17 g/mol.
Where can I buy BAS 00337575?
You can request a quote for BAS 00337575 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00337575?
Yes, KEHONG BIO provides custom synthesis services for BAS 00337575 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.