Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1)
TL;DR: Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1) (CAS 62819-73-2) is a chemical compound with molecular formula C34H42N2O4 and molecular weight 542.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;bis(1-(8,9-dihydro-7H-benzo[7]annulen-7-yl)pyrrolidine)
Also Known As: 1-(6,7-Dihydro-5H-benzocyclohepten-7-yl)pyrrolidine (E)-2-butenedioate (2:1), Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1), Di-(7-pyrrolidin-1-yl) 6,7-dihydro-5H-benzocycloheptene fumarate [French], Di-(7-pyrrolidin-1-yl) 6,7-dihydro-5H-benzocycloheptene fumarate, (E)-but-2-enedioic acid; 1-(8,9-dihydro-7H-benzo[7]annulen-7-yl)pyrrolidine
| Molecular Formula | C34H42N2O4 |
|---|---|
| Molecular Weight | 542.31 g/mol |
| LogP | 5.9326 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 542.31445 |
| Heavy Atoms | 40 |
| Complexity | 1112.4274 |
Chemical Identifiers
| CAS Number | 62819-73-2 |
|---|---|
| SMILES | C1CCN(C1)C2CCC3=CC=CC=C3C=C2.C1CCN(C1)C2CCC3=CC=CC=C3C=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1) (CAS 62819-73-2), with molecular formula C34H42N2O4 and molecular weight 542.31 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(1-(8,9-dihydro-7H-benzo[7]annulen-7-yl)pyrrolidine).
Chemical Property Profile of Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1)
Property Insights of Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1)
The XLogP value of 5.9326 indicates that Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1). Following Lipinski's Rule of Five, Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1) has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1)?
The CAS number of Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1) is 62819-73-2.
What is the molecular formula of Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1)?
The molecular formula of Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1) is C34H42N2O4.
What is the molecular weight of Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1)?
The molecular weight of Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1) is 542.31 g/mol.
Where can I buy Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1)?
You can request a quote for Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.