TimTec1_007953
TL;DR: TimTec1_007953 (CAS 696639-64-2) is a chemical compound with molecular formula C22H19NO5S and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenoxy)-4-thiophen-2-ylazetidin-2-one
Also Known As: TimTec1_007953, IDI1_033607, BAS 09589676, A3438/0145952, 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenoxy)-4-thiophen-2-ylazetidin-2-one
| Molecular Formula | C22H19NO5S |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 4.0165 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.0984 |
| Heavy Atoms | 29 |
| Complexity | 1018.1917 |
Chemical Identifiers
| CAS Number | 696639-64-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2C(N(C2=O)CC3=CC4=C(C=C3)OCO4)C5=CC=CS5 |
Product Overview
TimTec1_007953 (CAS 696639-64-2), with molecular formula C22H19NO5S and molecular weight 409.10 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenoxy)-4-thiophen-2-ylazetidin-2-one.
Chemical Property Profile of TimTec1_007953
Property Insights of TimTec1_007953
The XLogP value of 4.0165 indicates that TimTec1_007953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, TimTec1_007953 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_007953 has 0 hydrogen bond donor(s) and 6 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 TimTec1_007953?
The CAS number of TimTec1_007953 is 696639-64-2.
What is the molecular formula of TimTec1_007953?
The molecular formula of TimTec1_007953 is C22H19NO5S.
What is the molecular weight of TimTec1_007953?
The molecular weight of TimTec1_007953 is 409.10 g/mol.
Where can I buy TimTec1_007953?
You can request a quote for TimTec1_007953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_007953?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_007953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.