1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine
TL;DR: 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine (CAS 423728-83-0) is a chemical compound with molecular formula C14H19NO2 and molecular weight 233.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine
Also Known As: BAS 01836468, 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine, AB00100898-01, 3-(pyrrolidinylmethyl)-1H,3H,5H-benzo[e]1,3-dioxepin, 1-(5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-pyrrolidine
| Molecular Formula | C14H19NO2 |
|---|---|
| Molecular Weight | 233.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.14159 |
| Heavy Atoms | 17 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 423728-83-0 |
|---|---|
| SMILES | C1CCN(C1)CC2OCC3=CC=CC=C3CO2 |
| InChIKey | ZBBWDOQNMGGMBJ-UHFFFAOYSA-N |
Product Overview
1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine (CAS 423728-83-0), with molecular formula C14H19NO2 and molecular weight 233.14 g/mol. IUPAC: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine.
Chemical Property Profile of 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine
Property Insights of 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine. With a topological polar surface area (TPSA) of 21.7 Ų, 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine has 0 hydrogen bond donor(s) and 3 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-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine?
The CAS number of 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine is 423728-83-0.
What is the molecular formula of 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine?
The molecular formula of 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine is C14H19NO2.
What is the molecular weight of 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine?
The molecular weight of 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine is 233.14 g/mol.
Where can I buy 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine?
You can request a quote for 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.