![[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate structure](/static/products/3612/3612-74-6.webp)
[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate
TL;DR: [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate (CAS 3612-74-6) is a chemical compound with molecular formula C27H29N3O3S and molecular weight 475.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate
Also Known As: (1-{[2-(Diethylamino)ethyl]amino}-9-oxo-9H-thioxanthen-4-yl)methyl phenylcarbamate, [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate, [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate
| Molecular Formula | C27H29N3O3S |
|---|---|
| Molecular Weight | 475.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 475.19296 |
| Heavy Atoms | 34 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 3612-74-6 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)NC3=CC=CC=C3)SC4=CC=CC=C4C2=O |
| InChIKey | WCXUBVALLSZHIC-UHFFFAOYSA-N |
Product Overview
[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate (CAS 3612-74-6), with molecular formula C27H29N3O3S and molecular weight 475.19 g/mol. IUPAC: [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate.
Chemical Property Profile of [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate
Property Insights of [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate
The XLogP value of 4.7 indicates that [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate. Following Lipinski's Rule of Five, [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate?
The CAS number of [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate is 3612-74-6.
What is the molecular formula of [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate?
The molecular formula of [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate is C27H29N3O3S.
What is the molecular weight of [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate?
The molecular weight of [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate is 475.19 g/mol.
Where can I buy [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate?
You can request a quote for [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.