RefChem:214444
TL;DR: RefChem:214444 (CAS 794466-71-0) is a chemical compound with molecular formula C25H17F3N4O3 and molecular weight 478.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(hydroxymethyl)-7-(trifluoromethyl)-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5(10),6,8,11,16,18,20,22(27)-nonaene-13,15-dione
Also Known As: aza-1,7-annulated indole deriv. 12f, 1,2,3,4-Tetrahydro-14-(hydroxymethyl)-13-(trifluoromethyl)[1,4]diazepino[6,7,1-jk]indolo[2,3-a]pyrrolo[3,4-c]carbazole-8,10(9H,15H)-dione, 1,2,3,4-Tetrahydro-14-(hydroxymethyl)-13-(trifluoromethyl)(1,4)diazepino(6,7,1-jk)indolo(2,3-a)pyrrolo(3,4-c)carbazole-8,10(9H,15H)-dione, 6-(hydroxymethyl)-7-(trifluoromethyl)-1,4,14,24-tetraazaheptacyclo[16.8.1.0;{2,17}.0;{3,11}.0;{5,10}.0;{12,16}.0;{22,27}]heptacosa-2(17),3(11),5(10),6,8,12(16),18(27),19,21-nonaene-13,15-dione hydrochloride
| Molecular Formula | C25H17F3N4O3 |
|---|---|
| Molecular Weight | 478.13 g/mol |
| LogP | 3.9269 |
| Topological Polar Surface Area | 99.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 478.12527 |
| Heavy Atoms | 35 |
| Complexity | 1795.571 |
Chemical Identifiers
| CAS Number | 794466-71-0 |
|---|---|
| SMILES | C1CN2C3=C(CN1)C=CC=C3C4=C5C(=C6C7=C(C(=C(C=C7)C(F)(F)F)CO)NC6=C42)C(=O)NC5=O |
Product Overview
RefChem:214444 (CAS 794466-71-0), with molecular formula C25H17F3N4O3 and molecular weight 478.13 g/mol. IUPAC: 6-(hydroxymethyl)-7-(trifluoromethyl)-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5(10),6,8,11,16,18,20,22(27)-nonaene-13,15-dione.
Chemical Property Profile of RefChem:214444
Property Insights of RefChem:214444
The XLogP value of 3.9269 indicates that RefChem:214444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:214444. Following Lipinski's Rule of Five, RefChem:214444 has 4 hydrogen bond donor(s) and 4 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 RefChem:214444?
The CAS number of RefChem:214444 is 794466-71-0.
What is the molecular formula of RefChem:214444?
The molecular formula of RefChem:214444 is C25H17F3N4O3.
What is the molecular weight of RefChem:214444?
The molecular weight of RefChem:214444 is 478.13 g/mol.
Where can I buy RefChem:214444?
You can request a quote for RefChem:214444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:214444?
Yes, KEHONG BIO provides custom synthesis services for RefChem:214444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.