2-Cyclopentyl-2-(p-tolyl)acetic acid
TL;DR: 2-Cyclopentyl-2-(p-tolyl)acetic acid (CAS 7037-57-2) is a chemical compound with molecular formula C30H25N3O7S and molecular weight 571.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-methoxy-4-phenylmethoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: 2-Cyclopentyl-2-(p-tolyl)acetic acid, 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-methoxy-4-phenylmethoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, 5-[4-(Benzyloxy)-3-methoxyphenyl]-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C30H25N3O7S |
|---|---|
| Molecular Weight | 571.14 g/mol |
| LogP | 4.83162 |
| Topological Polar Surface Area | 120.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 571.1413 |
| Heavy Atoms | 41 |
| Complexity | 1667.8127 |
Chemical Identifiers
| CAS Number | 7037-57-2 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC |
Product Overview
2-Cyclopentyl-2-(p-tolyl)acetic acid (CAS 7037-57-2), with molecular formula C30H25N3O7S and molecular weight 571.14 g/mol. IUPAC: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-methoxy-4-phenylmethoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of 2-Cyclopentyl-2-(p-tolyl)acetic acid
Property Insights of 2-Cyclopentyl-2-(p-tolyl)acetic acid
The XLogP value of 4.83162 indicates that 2-Cyclopentyl-2-(p-tolyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyclopentyl-2-(p-tolyl)acetic acid. Following Lipinski's Rule of Five, 2-Cyclopentyl-2-(p-tolyl)acetic acid has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Cyclopentyl-2-(p-tolyl)acetic acid?
The CAS number of 2-Cyclopentyl-2-(p-tolyl)acetic acid is 7037-57-2.
What is the molecular formula of 2-Cyclopentyl-2-(p-tolyl)acetic acid?
The molecular formula of 2-Cyclopentyl-2-(p-tolyl)acetic acid is C30H25N3O7S.
What is the molecular weight of 2-Cyclopentyl-2-(p-tolyl)acetic acid?
The molecular weight of 2-Cyclopentyl-2-(p-tolyl)acetic acid is 571.14 g/mol.
Where can I buy 2-Cyclopentyl-2-(p-tolyl)acetic acid?
You can request a quote for 2-Cyclopentyl-2-(p-tolyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclopentyl-2-(p-tolyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclopentyl-2-(p-tolyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.