![1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione structure](/static/products/1312/13129-70-9.webp)
1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione
TL;DR: 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione (CAS 13129-70-9) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-ylmethyl)indole-2,3-dione
Also Known As: 1-(azepan-1-ylmethyl)-1H-indole-2,3-dione, 1-(1-Azepanylmethyl)-1H-indole-2,3-dione, 1-(azepan-1-ylmethyl)indole-2,3-dione, 1-(azepan-1-ylmethyl)indoline-2,3-dione, 1-(1-Azepanylmethyl)-1H-indole-2,3-dione #
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 13129-70-9 |
|---|---|
| SMILES | C1CCCN(CC1)CN2C3=CC=CC=C3C(=O)C2=O |
| InChIKey | AQNYLCPQJCOMMA-UHFFFAOYSA-N |
Product Overview
1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione (CAS 13129-70-9), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: 1-(azepan-1-ylmethyl)indole-2,3-dione.
Chemical Property Profile of 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione
Property Insights of 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione. With a topological polar surface area (TPSA) of 40.6 Ų, 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione 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-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione?
The CAS number of 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione is 13129-70-9.
What is the molecular formula of 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione?
The molecular formula of 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione is C15H18N2O2.
What is the molecular weight of 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione?
The molecular weight of 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione is 258.14 g/mol.
Where can I buy 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione?
You can request a quote for 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.