1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt)
TL;DR: 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt) (CAS 61832-63-1) is a chemical compound with molecular formula C38H44N2O8 and molecular weight 656.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-(1-benzylpiperidin-3-yl)benzene-1,2-diol);oxalic acid
Also Known As: N-Benzyl-3-(3',4'-dihydroxyphenyl)piperidine oxalate, 4-(1-(Phenylmethyl)-3-piperidinyl)-1,2-benzenediol ethanedioate (2:1) (salt), 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt), 4-(1-benzylpiperidin-3-yl)benzene-1,2-diol; oxalic acid, Oxalic acid--4-(1-benzylpiperidin-3-yl)benzene-1,2-diol (1/2)
| Molecular Formula | C38H44N2O8 |
|---|---|
| Molecular Weight | 656.31 g/mol |
| LogP | 6.1104 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 656.30975 |
| Heavy Atoms | 48 |
| Complexity | 1495.0421 |
Chemical Identifiers
| CAS Number | 61832-63-1 |
|---|---|
| SMILES | C1CC(CN(C1)CC2=CC=CC=C2)C3=CC(=C(C=C3)O)O.C1CC(CN(C1)CC2=CC=CC=C2)C3=CC(=C(C=C3)O)O.C(=O)(C(=O)O)O |
Product Overview
1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt) (CAS 61832-63-1), with molecular formula C38H44N2O8 and molecular weight 656.31 g/mol. IUPAC: bis(4-(1-benzylpiperidin-3-yl)benzene-1,2-diol);oxalic acid.
Chemical Property Profile of 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt)
Property Insights of 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt)
The XLogP value of 6.1104 indicates that 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt) has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt)?
The CAS number of 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt) is 61832-63-1.
What is the molecular formula of 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt)?
The molecular formula of 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt) is C38H44N2O8.
What is the molecular weight of 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt)?
The molecular weight of 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt) is 656.31 g/mol.
Where can I buy 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt)?
You can request a quote for 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt) 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-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.