4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester
TL;DR: 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester (CAS 1035375-65-5) is a chemical compound with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 4-phenyloxane-4-carboxylate;hydrochloride
Also Known As: 2-dimethylaminoethyl 4-phenyloxane-4-carboxylate hydrochloride, 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester, 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate hydrochloride, REGID_for_CID_2925284
| Molecular Formula | C16H24ClNO3 |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 2.2614 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.14447 |
| Heavy Atoms | 21 |
| Complexity | 430.40805 |
Chemical Identifiers
| CAS Number | 1035375-65-5 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1(CCOCC1)C2=CC=CC=C2.Cl |
Product Overview
4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester (CAS 1035375-65-5), with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol. IUPAC: 2-(dimethylamino)ethyl 4-phenyloxane-4-carboxylate;hydrochloride.
Chemical Property Profile of 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester
Property Insights of 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester
The XLogP value of 2.2614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester. With a topological polar surface area (TPSA) of 38.77 Ų, 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester 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-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester?
The CAS number of 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester is 1035375-65-5.
What is the molecular formula of 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester?
The molecular formula of 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester is C16H24ClNO3.
What is the molecular weight of 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester?
The molecular weight of 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester is 313.14 g/mol.
Where can I buy 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester?
You can request a quote for 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.