1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1)
TL;DR: 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1) (CAS 61832-54-0) is a chemical compound with molecular formula C17H21NO8 and molecular weight 367.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-4-piperidin-3-ylphenyl) acetate;oxalic acid
Also Known As: 3-(3',4'-Diacetoxyphenyl)piperidine oxalate, 3-(3',4'-diacetoxyphenyl)-piperidine oxalate, 4-(3-Piperidinyl)-1,2-benzenediol diacetate (ester) ethanedioate (1:1), 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1), (2-acetyloxy-4-piperidin-3-ylphenyl) acetate; oxalic acid
| Molecular Formula | C17H21NO8 |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | 1.1598 |
| Topological Polar Surface Area | 139.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.1267 |
| Heavy Atoms | 26 |
| Complexity | 667.3405 |
Chemical Identifiers
| CAS Number | 61832-54-0 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C2CCCNC2)OC(=O)C.C(=O)(C(=O)O)O |
Product Overview
1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1) (CAS 61832-54-0), with molecular formula C17H21NO8 and molecular weight 367.13 g/mol. IUPAC: (2-acetyloxy-4-piperidin-3-ylphenyl) acetate;oxalic acid.
Chemical Property Profile of 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1)
Property Insights of 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1)
The XLogP value of 1.1598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1). The TPSA of 139.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1). Following Lipinski's Rule of Five, 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1) has 3 hydrogen bond donor(s) and 7 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 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1)?
The CAS number of 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1) is 61832-54-0.
What is the molecular formula of 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1)?
The molecular formula of 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1) is C17H21NO8.
What is the molecular weight of 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1)?
The molecular weight of 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1) is 367.13 g/mol.
Where can I buy 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1)?
You can request a quote for 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 4-(3-piperidinyl)-, diacetate (ester), ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.