1,3,5-Triazaadamantane, 7-benzoyl-
TL;DR: 1,3,5-Triazaadamantane, 7-benzoyl- (CAS 149034-77-5) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanone
Also Known As: ChemDiv3_000683, 1,3,5-Triazaadamantane, 7-benzoyl-, BAS 00337617, 1,3,5-triazaadamantan-7-yl(phenyl)methanone, AE-848/06135018
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 149034-77-5 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)C(=O)C4=CC=CC=C4 |
| InChIKey | XPSHEUUQUVBGLN-UHFFFAOYSA-N |
Product Overview
1,3,5-Triazaadamantane, 7-benzoyl- (CAS 149034-77-5), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanone.
Chemical Property Profile of 1,3,5-Triazaadamantane, 7-benzoyl-
Property Insights of 1,3,5-Triazaadamantane, 7-benzoyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazaadamantane, 7-benzoyl-. With a topological polar surface area (TPSA) of 26.8 Ų, 1,3,5-Triazaadamantane, 7-benzoyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Triazaadamantane, 7-benzoyl- has 0 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 1,3,5-Triazaadamantane, 7-benzoyl-?
The CAS number of 1,3,5-Triazaadamantane, 7-benzoyl- is 149034-77-5.
What is the molecular formula of 1,3,5-Triazaadamantane, 7-benzoyl-?
The molecular formula of 1,3,5-Triazaadamantane, 7-benzoyl- is C14H17N3O.
What is the molecular weight of 1,3,5-Triazaadamantane, 7-benzoyl-?
The molecular weight of 1,3,5-Triazaadamantane, 7-benzoyl- is 243.14 g/mol.
Where can I buy 1,3,5-Triazaadamantane, 7-benzoyl-?
You can request a quote for 1,3,5-Triazaadamantane, 7-benzoyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Triazaadamantane, 7-benzoyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Triazaadamantane, 7-benzoyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.