BAS 14399926
TL;DR: BAS 14399926 (CAS 516456-16-9) is a chemical compound with molecular formula C25H25N3OS and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[4-(dimethylamino)phenyl]-6-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 14399926, VU0047638-1, 3-[4-(dimethylamino)phenyl]-11-(thiophen-2-yl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 3-(4-(dimethylamino)phenyl)-11-(thiophen-2-yl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 3-[4-(dimethylamino)phenyl]-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C25H25N3OS |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 5.7936 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.17184 |
| Heavy Atoms | 30 |
| Complexity | 1099.6871 |
Chemical Identifiers
| CAS Number | 516456-16-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=CS5)C(=O)C2 |
Product Overview
BAS 14399926 (CAS 516456-16-9), with molecular formula C25H25N3OS and molecular weight 415.17 g/mol. IUPAC: 9-[4-(dimethylamino)phenyl]-6-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 14399926
Property Insights of BAS 14399926
The XLogP value of 5.7936 indicates that BAS 14399926 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, BAS 14399926 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 14399926 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 BAS 14399926?
The CAS number of BAS 14399926 is 516456-16-9.
What is the molecular formula of BAS 14399926?
The molecular formula of BAS 14399926 is C25H25N3OS.
What is the molecular weight of BAS 14399926?
The molecular weight of BAS 14399926 is 415.17 g/mol.
Where can I buy BAS 14399926?
You can request a quote for BAS 14399926 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 14399926?
Yes, KEHONG BIO provides custom synthesis services for BAS 14399926 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.