J-104870
TL;DR: J-104870 (CAS 196498-48-3) is a chemical compound with molecular formula C27H33N5O4S2 and molecular weight 555.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl N-[3-[[[6-[(5-ethyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-methoxyphenyl]carbamate
Also Known As: J-104870, J1.217.456J, J 104870, 2-Propen-1-yl N-(3-(((6-(((5-ethyl-2-thiazolyl)thio)methyl)-4-(4-morpholinyl)-2-pyridinyl)amino)methyl)-5-methoxyphenyl)carbamate, Carbamic acid, (3-(((6-(((5-ethyl-2-thiazolyl)thio)methyl)-4-(4-morpholinyl)-2-pyridinyl)amino)methyl)-5-methoxyphenyl)-, 2-propenyl ester
| Molecular Formula | C27H33N5O4S2 |
|---|---|
| Molecular Weight | 555.20 g/mol |
| LogP | 5.5846 |
| Topological Polar Surface Area | 97.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 555.1974 |
| Heavy Atoms | 38 |
| Complexity | 1229.9271 |
Chemical Identifiers
| CAS Number | 196498-48-3 |
|---|---|
| SMILES | CCC1=CN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)NCC4=CC(=CC(=C4)OC)NC(=O)OCC=C |
Product Overview
J-104870 (CAS 196498-48-3), with molecular formula C27H33N5O4S2 and molecular weight 555.20 g/mol. IUPAC: prop-2-enyl N-[3-[[[6-[(5-ethyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-methoxyphenyl]carbamate.
Chemical Property Profile of J-104870
Property Insights of J-104870
The XLogP value of 5.5846 indicates that J-104870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.84 Ų falls within the moderate polarity range, balancing permeability and solubility for J-104870. Following Lipinski's Rule of Five, J-104870 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J-104870?
The CAS number of J-104870 is 196498-48-3.
What is the molecular formula of J-104870?
The molecular formula of J-104870 is C27H33N5O4S2.
What is the molecular weight of J-104870?
The molecular weight of J-104870 is 555.20 g/mol.
Where can I buy J-104870?
You can request a quote for J-104870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J-104870?
Yes, KEHONG BIO provides custom synthesis services for J-104870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.