Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine
TL;DR: Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine (CAS 381172-70-9) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)prop-2-en-1-amine
Also Known As: BAS 01836466, BIM-0030033.P001, Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine, N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)prop-2-en-1-amine, (1H,3H,5H-benzo[e]1,3-dioxepin-3-ylmethyl)prop-2-enylamine
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 1.8351 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 324.54077 |
Chemical Identifiers
| CAS Number | 381172-70-9 |
|---|---|
| SMILES | C=CCNCC1OCC2=CC=CC=C2CO1 |
Product Overview
Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine (CAS 381172-70-9), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)prop-2-en-1-amine.
Chemical Property Profile of Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine
Property Insights of Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine
The XLogP value of 1.8351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine. With a topological polar surface area (TPSA) of 30.49 Ų, Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine has 1 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 Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine?
The CAS number of Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine is 381172-70-9.
What is the molecular formula of Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine?
The molecular formula of Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine is C13H17NO2.
What is the molecular weight of Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine?
The molecular weight of Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine is 219.13 g/mol.
Where can I buy Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine?
You can request a quote for Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Allyl-(5,9-dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.