RefChem:305370
TL;DR: RefChem:305370 (CAS 40494-41-5) is a chemical compound with molecular formula C20H29NO2 and molecular weight 315.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-2-yl)methyl 2-(2,3,4,5-tetrahydro-1H-benzo[7]annulen-5-yl)acetate
Also Known As: 6,7,8,9-Tetrahydro-5H-benzocycloheptene-5-acetic acid (1-methyl-2-piperidinyl)methyl ester, 5H-Benzocycloheptene-5-acetic acid, 6,7,8,9-tetrahydro-, (1-methyl-2-piperidinyl)methyl ester, (1-Methylpiperidin-2-yl)methyl (2,3,4,5-tetrahydro-1H-benzo[7]annulen-5-yl)acetate, (1-methylpiperidin-2-yl)methyl 2-(2,3,4,5-tetrahydro-1H-benzo[7]annulen-5-yl)acetate, BRN 1493187
| Molecular Formula | C20H29NO2 |
|---|---|
| Molecular Weight | 315.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.21982 |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 40494-41-5 |
|---|---|
| SMILES | CN1CCCCC1COC(=O)CC2C=CC=CC3=C2CCCC3 |
| InChIKey | XFYXHAXPOWKVEE-UHFFFAOYSA-N |
Product Overview
RefChem:305370 (CAS 40494-41-5), with molecular formula C20H29NO2 and molecular weight 315.22 g/mol. IUPAC: (1-methylpiperidin-2-yl)methyl 2-(2,3,4,5-tetrahydro-1H-benzo[7]annulen-5-yl)acetate.
Chemical Property Profile of RefChem:305370
Property Insights of RefChem:305370
The XLogP value of 3.7 indicates that RefChem:305370 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:305370 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305370 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 RefChem:305370?
The CAS number of RefChem:305370 is 40494-41-5.
What is the molecular formula of RefChem:305370?
The molecular formula of RefChem:305370 is C20H29NO2.
What is the molecular weight of RefChem:305370?
The molecular weight of RefChem:305370 is 315.22 g/mol.
Where can I buy RefChem:305370?
You can request a quote for RefChem:305370 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305370?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305370 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.