二苯乙醇酸1,3-二氮杂金刚烷-6-基酯
TL;DR: 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯 (CAS 102516-82-5) is a chemical compound with molecular formula C22H24N2O3 and molecular weight 364.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯乙醇酸1,3-二氮杂金刚烷-6-基酯
1,3-diazatricyclo[3.3.1.13,7]decan-6-yl 2-hydroxy-2,2-diphenylacetate
Also Known As: 1,3-Diaza-6-adamantyl benzilate, Benzilic acid, 1,3-diazaadamant-6-yl ester, Benzilic acid 1,3-diazaadamantan-6-yl ester, 1,3-diazatricyclo[3.3.1.13,7]dec-6-yl hydroxy(diphenyl)acetate, 1,3-Diazatricyclo[3.3.1.1~3,7~]decan-6-yl hydroxydi(phenyl)acetate
| Molecular Formula | C22H24N2O3 |
|---|---|
| Molecular Weight | 364.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.17868 |
| Heavy Atoms | 27 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 102516-82-5 |
|---|---|
| SMILES | C1C2CN3CC(C2OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)CN1C3 |
| InChIKey | VFKSRNPUBDKBLL-UHFFFAOYSA-N |
Product Overview
二苯乙醇酸1,3-二氮杂金刚烷-6-基酯 (CAS 102516-82-5), with molecular formula C22H24N2O3 and molecular weight 364.18 g/mol. IUPAC: 1,3-diazatricyclo[3.3.1.13,7]decan-6-yl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯
Property Insights of 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯. With a topological polar surface area (TPSA) of 53.0 Ų, 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯 has 1 hydrogen bond donor(s) and 5 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 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯?
The CAS number of 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯 is 102516-82-5.
What is the molecular formula of 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯?
The molecular formula of 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯 is C22H24N2O3.
What is the molecular weight of 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯?
The molecular weight of 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯 is 364.18 g/mol.
Where can I buy 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯?
You can request a quote for 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯?
Yes, KEHONG BIO provides custom synthesis services for 二苯乙醇酸1,3-二氮杂金刚烷-6-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.