Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate
TL;DR: Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate (CAS 37280-47-0) is a chemical compound with molecular formula C27H39NO6S and molecular weight 505.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;3-piperidin-1-ylpropyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
Also Known As: Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate, Thymyloxyessigsaeure-, A-N-piperidino-propylester-p-toluolsulfonat, (2-Isopropyl-5-methyl-phenoxy)-acetic acid 3-piperidin-1-yl-propyl ester, 3-(piperidin-1-yl)propyl[5-methyl-2-(propan-2-yl)phenoxy]acetate 4-methylbenzenesulfonate(1:1)
| Molecular Formula | C27H39NO6S |
|---|---|
| Molecular Weight | 505.25 g/mol |
| LogP | 5.15814 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 505.24982 |
| Heavy Atoms | 35 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 37280-47-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCCCN2CCCCC2 |
| InChIKey | JKSJJUXXBFIQKJ-UHFFFAOYSA-N |
Product Overview
Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate (CAS 37280-47-0), with molecular formula C27H39NO6S and molecular weight 505.25 g/mol. IUPAC: 4-methylbenzenesulfonic acid;3-piperidin-1-ylpropyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate.
Chemical Property Profile of Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate
Property Insights of Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate
The XLogP value of 5.15814 indicates that Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate. Following Lipinski's Rule of Five, Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate?
The CAS number of Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate is 37280-47-0.
What is the molecular formula of Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate?
The molecular formula of Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate is C27H39NO6S.
What is the molecular weight of Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate?
The molecular weight of Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate is 505.25 g/mol.
Where can I buy Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate?
You can request a quote for Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.