1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine))
TL;DR: 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine)) (CAS 99643-44-4) is a chemical compound with molecular formula C19H16N2S2 and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1',3'-dimethylspiro[1,3-benzodithiole-2,2'-perimidine]
Also Known As: 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine)), 1',3'-dimethylspiro[1,3-benzodithiole-2,2'-perimidine], 1',3'-Dimethyl-1'H,3'H-spiro[[1,3]benzodithiole-2,2'-perimidine], 1,3'-Dimethylspiro[1,3-benzodithiole-2,2'-(2,3-dihydro-[1H]-perimidine)]
| Molecular Formula | C19H16N2S2 |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.0755 |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 99643-44-4 |
|---|---|
| SMILES | CN1C2=CC=CC3=C2C(=CC=C3)N(C14SC5=CC=CC=C5S4)C |
| InChIKey | AGIAXUSQWUNMHG-UHFFFAOYSA-N |
Product Overview
1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine)) (CAS 99643-44-4), with molecular formula C19H16N2S2 and molecular weight 336.08 g/mol. IUPAC: 1',3'-dimethylspiro[1,3-benzodithiole-2,2'-perimidine].
Chemical Property Profile of 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine))
Property Insights of 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine))
The XLogP value of 5.9 indicates that 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine)) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.1 Ų, 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine)) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine)) has 0 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 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine))?
The CAS number of 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine)) is 99643-44-4.
What is the molecular formula of 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine))?
The molecular formula of 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine)) is C19H16N2S2.
What is the molecular weight of 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine))?
The molecular weight of 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine)) is 336.08 g/mol.
Where can I buy 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine))?
You can request a quote for 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine)) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine))?
Yes, KEHONG BIO provides custom synthesis services for 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine)) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.