DMPIT
TL;DR: DMPIT (CAS 102852-53-9) is a chemical compound with molecular formula C28H40N2O4S and molecular weight 500.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethylhexan-1-amine
Also Known As: DMPIT, 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate, 4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethylhexan-1-amine, 4-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-4-(isothiocyanatomethyl)-5-methylhexan-1-amine, Benzenebutanamine,N-[2-(3,4-dimethoxyphenyl)ethyl]-d-(isothiocyanatomethyl)-3,4-dimethoxy-N-methyl-d-(1-methylethyl)
| Molecular Formula | C28H40N2O4S |
|---|---|
| Molecular Weight | 500.27 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 500.27087 |
| Heavy Atoms | 35 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 102852-53-9 |
|---|---|
| SMILES | CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(CN=C=S)C2=CC(=C(C=C2)OC)OC |
| InChIKey | ZPHLZPWMGNFCCR-UHFFFAOYSA-N |
Product Overview
DMPIT (CAS 102852-53-9), with molecular formula C28H40N2O4S and molecular weight 500.27 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethylhexan-1-amine.
Chemical Property Profile of DMPIT
Property Insights of DMPIT
The XLogP value of 7.3 indicates that DMPIT is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for DMPIT. Following Lipinski's Rule of Five, DMPIT has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DMPIT?
The CAS number of DMPIT is 102852-53-9.
What is the molecular formula of DMPIT?
The molecular formula of DMPIT is C28H40N2O4S.
What is the molecular weight of DMPIT?
The molecular weight of DMPIT is 500.27 g/mol.
Where can I buy DMPIT?
You can request a quote for DMPIT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DMPIT?
Yes, KEHONG BIO provides custom synthesis services for DMPIT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.