3iw5
TL;DR: 3iw5 (CAS 497072-84-1) is a chemical compound with molecular formula C28H24F3N3O4S and molecular weight 555.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
Also Known As: 3iw5, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, Benzamide, N-[2-[3-[[2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]thio]-1H-indol-1-yl]ethyl]-3-(trifluoromethyl)-, N-{2-[3-({[(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBAMOYL]METHYL}SULFANYL)-1H-INDOL-1-YL]ETHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE, N-[2-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
| Molecular Formula | C28H24F3N3O4S |
|---|---|
| Molecular Weight | 555.14 g/mol |
| LogP | 5.5921 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 555.144 |
| Heavy Atoms | 39 |
| Complexity | 1519.7133 |
Chemical Identifiers
| CAS Number | 497072-84-1 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC(=CC=C5)C(F)(F)F |
Product Overview
3iw5 (CAS 497072-84-1), with molecular formula C28H24F3N3O4S and molecular weight 555.14 g/mol. IUPAC: N-[2-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of 3iw5
Property Insights of 3iw5
The XLogP value of 5.5921 indicates that 3iw5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3iw5. Following Lipinski's Rule of Five, 3iw5 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3iw5?
The CAS number of 3iw5 is 497072-84-1.
What is the molecular formula of 3iw5?
The molecular formula of 3iw5 is C28H24F3N3O4S.
What is the molecular weight of 3iw5?
The molecular weight of 3iw5 is 555.14 g/mol.
Where can I buy 3iw5?
You can request a quote for 3iw5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3iw5?
Yes, KEHONG BIO provides custom synthesis services for 3iw5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.