BAS 13118193
TL;DR: BAS 13118193 (CAS 354545-03-2) is a chemical compound with molecular formula C25H25F3N2O2 and molecular weight 442.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-5-propanoyl-6-[4-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 13118193, 9,9-dimethyl-5-propanoyl-6-[4-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 3,3-dimethyl-10-propionyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3,3-dimethyl-10-propanoyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C25H25F3N2O2 |
|---|---|
| Molecular Weight | 442.19 g/mol |
| LogP | 6.2584 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.1868 |
| Heavy Atoms | 32 |
| Complexity | 1100.9153 |
Chemical Identifiers
| CAS Number | 354545-03-2 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)C(F)(F)F |
Product Overview
BAS 13118193 (CAS 354545-03-2), with molecular formula C25H25F3N2O2 and molecular weight 442.19 g/mol. IUPAC: 9,9-dimethyl-5-propanoyl-6-[4-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 13118193
Property Insights of BAS 13118193
The XLogP value of 6.2584 indicates that BAS 13118193 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 13118193 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13118193 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13118193?
The CAS number of BAS 13118193 is 354545-03-2.
What is the molecular formula of BAS 13118193?
The molecular formula of BAS 13118193 is C25H25F3N2O2.
What is the molecular weight of BAS 13118193?
The molecular weight of BAS 13118193 is 442.19 g/mol.
Where can I buy BAS 13118193?
You can request a quote for BAS 13118193 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13118193?
Yes, KEHONG BIO provides custom synthesis services for BAS 13118193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.