9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate
TL;DR: 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate (CAS 2002-31-5) is a chemical compound with molecular formula C25H31NO3 and molecular weight 393.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(9-azabicyclo[3.3.1]nonan-9-yl)propyl 2-hydroxy-2,2-diphenylacetate
Also Known As: 9-Azabicyclo(3.3.1)nonane, 9-(benziloyloxypropyl)-, 9-(3-Hydroxypropyl)-9-azabicyclo(3.3.1)nonane benzilate, 9-AZABICYCLO(3.3.1)NONANE, 9-(3-HYDROXYPROPYL)-, BENZILATE, N-(omega-Hydroxypropyl)-norgranatan alpha-hydroxy-alpha-diphenylacetyl ester [German], N-(omega-Hydroxypropyl)-norgranatan alpha-hydroxy-alpha-diphenylacetyl ester
| Molecular Formula | C25H31NO3 |
|---|---|
| Molecular Weight | 393.23 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 393.2304 |
| Heavy Atoms | 29 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 2002-31-5 |
|---|---|
| SMILES | C1CC2CCCC(C1)N2CCCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
| InChIKey | UPWZIUPEFMORMU-UHFFFAOYSA-N |
Product Overview
9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate (CAS 2002-31-5), with molecular formula C25H31NO3 and molecular weight 393.23 g/mol. IUPAC: 3-(9-azabicyclo[3.3.1]nonan-9-yl)propyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate
Property Insights of 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate
The XLogP value of 4.9 indicates that 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate has 1 hydrogen bond donor(s) and 4 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 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate?
The CAS number of 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate is 2002-31-5.
What is the molecular formula of 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate?
The molecular formula of 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate is C25H31NO3.
What is the molecular weight of 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate?
The molecular weight of 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate is 393.23 g/mol.
Where can I buy 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate?
You can request a quote for 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate?
Yes, KEHONG BIO provides custom synthesis services for 9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.