rac Bepotastine Ethyl Ester
TL;DR: rac Bepotastine Ethyl Ester (CAS 190730-39-3) is a chemical compound with molecular formula C23H29ClN2O3 and molecular weight 416.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoate
Also Known As: rac Bepotastine Ethyl Ester, Ethyl 4-(4-((4-chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoate, ethyl 4-[4-[(4-chlorophenyl)-2-pyridylmethoxy]-1-piperidyl]-butanoate, Ethyl 4-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]butanoate, ethyl 4-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoate
| Molecular Formula | C23H29ClN2O3 |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | 4.6487 |
| Topological Polar Surface Area | 51.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.18668 |
| Heavy Atoms | 29 |
| Complexity | 746.4781 |
Chemical Identifiers
| CAS Number | 190730-39-3 |
|---|---|
| SMILES | CCOC(=O)CCCN1CCC(CC1)OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3 |
Product Overview
rac Bepotastine Ethyl Ester (CAS 190730-39-3), with molecular formula C23H29ClN2O3 and molecular weight 416.19 g/mol. IUPAC: ethyl 4-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoate.
Chemical Property Profile of rac Bepotastine Ethyl Ester
Property Insights of rac Bepotastine Ethyl Ester
The XLogP value of 4.6487 indicates that rac Bepotastine Ethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.66 Ų, rac Bepotastine Ethyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac Bepotastine Ethyl Ester has 0 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 rac Bepotastine Ethyl Ester?
The CAS number of rac Bepotastine Ethyl Ester is 190730-39-3.
What is the molecular formula of rac Bepotastine Ethyl Ester?
The molecular formula of rac Bepotastine Ethyl Ester is C23H29ClN2O3.
What is the molecular weight of rac Bepotastine Ethyl Ester?
The molecular weight of rac Bepotastine Ethyl Ester is 416.19 g/mol.
Where can I buy rac Bepotastine Ethyl Ester?
You can request a quote for rac Bepotastine Ethyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac Bepotastine Ethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for rac Bepotastine Ethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.