IFLab1_005575
TL;DR: IFLab1_005575 (CAS 865161-68-8) is a chemical compound with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
Also Known As: IFLab1_005575, IDI1_010978, F1359-1564, (Z)-4-(diethylamino)-N-(6-methoxy-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)benzamide, 4-(diethylamino)-N-[(2Z)-6-methoxy-3-(2-methoxyethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide
| Molecular Formula | C22H27N3O3S |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.9451 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.1773 |
| Heavy Atoms | 29 |
| Complexity | 1033.6322 |
Chemical Identifiers
| CAS Number | 865161-68-8 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CCOC |
Product Overview
IFLab1_005575 (CAS 865161-68-8), with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol. IUPAC: 4-(diethylamino)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide.
Chemical Property Profile of IFLab1_005575
Property Insights of IFLab1_005575
The XLogP value of 3.9451 indicates that IFLab1_005575 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.06 Ų, IFLab1_005575 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_005575 has 0 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 IFLab1_005575?
The CAS number of IFLab1_005575 is 865161-68-8.
What is the molecular formula of IFLab1_005575?
The molecular formula of IFLab1_005575 is C22H27N3O3S.
What is the molecular weight of IFLab1_005575?
The molecular weight of IFLab1_005575 is 413.18 g/mol.
Where can I buy IFLab1_005575?
You can request a quote for IFLab1_005575 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005575?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005575 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.