I.S. 2749
TL;DR: I.S. 2749 (CAS 1030-13-3) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methoxypropylamino)ethanol
Also Known As: I.s. 2749, 2749 I.S., 2749 I.S, 2749I.S., alpha-(((3-Methoxypropyl)amino)methyl)-1,4-benzodioxan-2-methanol
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 1030-13-3 |
|---|---|
| SMILES | COCCCNCC(C1COC2=CC=CC=C2O1)O |
| InChIKey | LBKOWSLAHIUMHT-UHFFFAOYSA-N |
Product Overview
I.S. 2749 (CAS 1030-13-3), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methoxypropylamino)ethanol.
Chemical Property Profile of I.S. 2749
Property Insights of I.S. 2749
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for I.S. 2749. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for I.S. 2749. Following Lipinski's Rule of Five, I.S. 2749 has 2 hydrogen bond donor(s) and 5 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 I.S. 2749?
The CAS number of I.S. 2749 is 1030-13-3.
What is the molecular formula of I.S. 2749?
The molecular formula of I.S. 2749 is C14H21NO4.
What is the molecular weight of I.S. 2749?
The molecular weight of I.S. 2749 is 267.15 g/mol.
Where can I buy I.S. 2749?
You can request a quote for I.S. 2749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I.S. 2749?
Yes, KEHONG BIO provides custom synthesis services for I.S. 2749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.