![(4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone structure](/static/products/1490/149034-79-7.webp)
(4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone
TL;DR: (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone (CAS 149034-79-7) is a chemical compound with molecular formula C14H16ClN3O and molecular weight 277.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanone
Also Known As: (4-chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone, BAS 00337721, AE-848/06135019, (4-chlorophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanone, (1s,3s,5s)-1,3,5-triazaadamantan-7-yl(4-chlorophenyl)methanone
| Molecular Formula | C14H16ClN3O |
|---|---|
| Molecular Weight | 277.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.09818 |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 149034-79-7 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)C(=O)C4=CC=C(C=C4)Cl |
| InChIKey | PBKBQCQUGFPIFR-UHFFFAOYSA-N |
Product Overview
(4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone (CAS 149034-79-7), with molecular formula C14H16ClN3O and molecular weight 277.10 g/mol. IUPAC: (4-chlorophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanone.
Chemical Property Profile of (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone
Property Insights of (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone. With a topological polar surface area (TPSA) of 26.8 Ų, (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone 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 (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
The CAS number of (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone is 149034-79-7.
What is the molecular formula of (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
The molecular formula of (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone is C14H16ClN3O.
What is the molecular weight of (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
The molecular weight of (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone is 277.10 g/mol.
Where can I buy (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
You can request a quote for (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.