BAS 13118194
TL;DR: BAS 13118194 (CAS 353472-52-3) is a chemical compound with molecular formula C21H19F3N2O2S and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 13118194, 9,9-dimethyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 3,3-DIMETHYL-11-(2-THIENYL)-10-(2,2,2-TRIFLUOROACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 3,3-dimethyl-11-(2-thienyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3,3-dimethyl-11-(thiophen-2-yl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C21H19F3N2O2S |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 5.4534 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 420.11194 |
| Heavy Atoms | 29 |
| Complexity | 1009.1836 |
Chemical Identifiers
| CAS Number | 353472-52-3 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC=CS4)C(=O)C1)C |
Product Overview
BAS 13118194 (CAS 353472-52-3), with molecular formula C21H19F3N2O2S and molecular weight 420.11 g/mol. IUPAC: 9,9-dimethyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 13118194
Property Insights of BAS 13118194
The XLogP value of 5.4534 indicates that BAS 13118194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, BAS 13118194 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13118194 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13118194?
The CAS number of BAS 13118194 is 353472-52-3.
What is the molecular formula of BAS 13118194?
The molecular formula of BAS 13118194 is C21H19F3N2O2S.
What is the molecular weight of BAS 13118194?
The molecular weight of BAS 13118194 is 420.11 g/mol.
Where can I buy BAS 13118194?
You can request a quote for BAS 13118194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13118194?
Yes, KEHONG BIO provides custom synthesis services for BAS 13118194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.