(5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine
TL;DR: (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine (CAS 376380-74-4) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 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)-2-methylpropan-1-amine
Also Known As: -ISOBUTYL-AMINE, (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine, 3355AE, BAS 02141297, 4-(2-Dimethylamino-ethoxy)-benzoic acid
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 376380-74-4 |
|---|---|
| SMILES | CC(C)CNCC1OCC2=CC=CC=C2CO1 |
| InChIKey | ZEKYUNSJZVNFLX-UHFFFAOYSA-N |
Product Overview
(5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine (CAS 376380-74-4), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-methylpropan-1-amine.
Chemical Property Profile of (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine
Property Insights of (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine. With a topological polar surface area (TPSA) of 30.5 Ų, (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-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 (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine?
The CAS number of (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine is 376380-74-4.
What is the molecular formula of (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine?
The molecular formula of (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine is C14H21NO2.
What is the molecular weight of (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine?
The molecular weight of (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine is 235.16 g/mol.
Where can I buy (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine?
You can request a quote for (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine?
Yes, KEHONG BIO provides custom synthesis services for (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.