烟酸-α-(对甲苯基)苄酯
TL;DR: 烟酸-α-(对甲苯基)苄酯 (CAS 101952-82-3) is a chemical compound with molecular formula C20H17NO2 and molecular weight 303.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酸-α-(对甲苯基)苄酯
[(4-methylphenyl)-phenylmethyl] pyridine-3-carboxylate
Also Known As: alpha-(p-Tolyl)benzyl nicotinate, alpha-(p-Tolyl)benzyl=nicotinate, NICOTINIC ACID, alpha-(p-TOLYL)BENZYL ESTER, 4-22-00-00369 (Beilstein Handbook Reference), [(4-methylphenyl)-phenylmethyl] pyridine-3-carboxylate
| Molecular Formula | C20H17NO2 |
|---|---|
| Molecular Weight | 303.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.12592 |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 101952-82-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3=CN=CC=C3 |
| InChIKey | OBQFMZHIVBKRDA-UHFFFAOYSA-N |
Product Overview
烟酸-α-(对甲苯基)苄酯 (CAS 101952-82-3), with molecular formula C20H17NO2 and molecular weight 303.13 g/mol. IUPAC: [(4-methylphenyl)-phenylmethyl] pyridine-3-carboxylate.
Chemical Property Profile of 烟酸-α-(对甲苯基)苄酯
Property Insights of 烟酸-α-(对甲苯基)苄酯
The XLogP value of 4.5 indicates that 烟酸-α-(对甲苯基)苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 烟酸-α-(对甲苯基)苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烟酸-α-(对甲苯基)苄酯 has 0 hydrogen bond donor(s) and 3 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 烟酸-α-(对甲苯基)苄酯?
The CAS number of 烟酸-α-(对甲苯基)苄酯 is 101952-82-3.
What is the molecular formula of 烟酸-α-(对甲苯基)苄酯?
The molecular formula of 烟酸-α-(对甲苯基)苄酯 is C20H17NO2.
What is the molecular weight of 烟酸-α-(对甲苯基)苄酯?
The molecular weight of 烟酸-α-(对甲苯基)苄酯 is 303.13 g/mol.
Where can I buy 烟酸-α-(对甲苯基)苄酯?
You can request a quote for 烟酸-α-(对甲苯基)苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酸-α-(对甲苯基)苄酯?
Yes, KEHONG BIO provides custom synthesis services for 烟酸-α-(对甲苯基)苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.