1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol
TL;DR: 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol (CAS 373369-66-5) is a chemical compound with molecular formula C21H19NO3S2 and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol
Also Known As: ChemDiv1_021172, 1-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol, 1-(7,8-dimethyl-1,5-dihydrobenzo[e][1,3]dithiepin-3-yl)-6-nitronaphthalen-2-ol, 1-(7,8-DIMETHYL-3,5-DIHYDRO-1H-2,4-BENZODITHIEPIN-3-YL)-6-NITRONAPHTHALEN-2-OL
| Molecular Formula | C21H19NO3S2 |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 6.24924 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.08063 |
| Heavy Atoms | 27 |
| Complexity | 1031.9663 |
Chemical Identifiers
| CAS Number | 373369-66-5 |
|---|---|
| SMILES | CC1=CC2=C(CSC(SC2)C3=C(C=CC4=C3C=CC(=C4)[N+](=O)[O-])O)C=C1C |
Product Overview
1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol (CAS 373369-66-5), with molecular formula C21H19NO3S2 and molecular weight 397.08 g/mol. IUPAC: 1-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol.
Chemical Property Profile of 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol
Property Insights of 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol
The XLogP value of 6.24924 indicates that 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol. Following Lipinski's Rule of Five, 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol has 1 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 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol?
The CAS number of 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol is 373369-66-5.
What is the molecular formula of 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol?
The molecular formula of 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol is C21H19NO3S2.
What is the molecular weight of 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol?
The molecular weight of 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol is 397.08 g/mol.
Where can I buy 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol?
You can request a quote for 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.