N-苄基-3-乙酰基吲哚
TL;DR: N-苄基-3-乙酰基吲哚 (CAS 93315-38-9) is a chemical compound with molecular formula C30H33N3O3 and molecular weight 483.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苄基-3-乙酰基吲哚
2,4,6-tris[(benzylamino)methyl]benzene-1,3,5-triol
Also Known As: 3,6-dimethyl-1,2-dithiane 1-oxide, 2,4,6-tris[(benzylamino)methyl]benzene-1,3,5-triol, 2,4,6-tris[(phenylmethylamino)methyl]benzene-1,3,5-triol, 1,3,5-Benzenetriol,2,4,6-tris[[(phenylmethyl)amino]methyl]-
| Molecular Formula | C30H33N3O3 |
|---|---|
| Molecular Weight | 483.25 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 483.2522 |
| Heavy Atoms | 36 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 93315-38-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCC2=C(C(=C(C(=C2O)CNCC3=CC=CC=C3)O)CNCC4=CC=CC=C4)O |
| InChIKey | CWCVEKYZLWDOTO-UHFFFAOYSA-N |
Product Overview
N-苄基-3-乙酰基吲哚 (CAS 93315-38-9), with molecular formula C30H33N3O3 and molecular weight 483.25 g/mol. IUPAC: 2,4,6-tris[(benzylamino)methyl]benzene-1,3,5-triol.
Chemical Property Profile of N-苄基-3-乙酰基吲哚
Property Insights of N-苄基-3-乙酰基吲哚
The XLogP value of 5.1 indicates that N-苄基-3-乙酰基吲哚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-苄基-3-乙酰基吲哚. Following Lipinski's Rule of Five, N-苄基-3-乙酰基吲哚 has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-苄基-3-乙酰基吲哚?
The CAS number of N-苄基-3-乙酰基吲哚 is 93315-38-9.
What is the molecular formula of N-苄基-3-乙酰基吲哚?
The molecular formula of N-苄基-3-乙酰基吲哚 is C30H33N3O3.
What is the molecular weight of N-苄基-3-乙酰基吲哚?
The molecular weight of N-苄基-3-乙酰基吲哚 is 483.25 g/mol.
Where can I buy N-苄基-3-乙酰基吲哚?
You can request a quote for N-苄基-3-乙酰基吲哚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-苄基-3-乙酰基吲哚?
Yes, KEHONG BIO provides custom synthesis services for N-苄基-3-乙酰基吲哚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.