ChemDiv3_005618
TL;DR: ChemDiv3_005618 (CAS 438215-89-5) is a chemical compound with molecular formula C23H22F3N3O3S and molecular weight 477.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-5-[5-[[3-(trifluoromethyl)phenoxy]methyl]furan-2-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: ChemDiv3_005618, IDI1_023528, BRD-A20170292-001-01-9, 7-ethyl-2-(5-{[3-(trifluoromethyl)phenoxy]methyl}(2-furyl))-1,2,3,5,6,7,8-hept ahydropyrimidino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one, 7-ethyl-2-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C23H22F3N3O3S |
|---|---|
| Molecular Weight | 477.13 g/mol |
| LogP | 5.171 |
| Topological Polar Surface Area | 66.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.1334 |
| Heavy Atoms | 33 |
| Complexity | 1187.3179 |
Chemical Identifiers
| CAS Number | 438215-89-5 |
|---|---|
| SMILES | CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)COC5=CC=CC(=C5)C(F)(F)F |
Product Overview
ChemDiv3_005618 (CAS 438215-89-5), with molecular formula C23H22F3N3O3S and molecular weight 477.13 g/mol. IUPAC: 11-ethyl-5-[5-[[3-(trifluoromethyl)phenoxy]methyl]furan-2-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of ChemDiv3_005618
Property Insights of ChemDiv3_005618
The XLogP value of 5.171 indicates that ChemDiv3_005618 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005618. Following Lipinski's Rule of Five, ChemDiv3_005618 has 2 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 ChemDiv3_005618?
The CAS number of ChemDiv3_005618 is 438215-89-5.
What is the molecular formula of ChemDiv3_005618?
The molecular formula of ChemDiv3_005618 is C23H22F3N3O3S.
What is the molecular weight of ChemDiv3_005618?
The molecular weight of ChemDiv3_005618 is 477.13 g/mol.
Where can I buy ChemDiv3_005618?
You can request a quote for ChemDiv3_005618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005618?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.