AN-648/15098006
TL;DR: AN-648/15098006 (CAS 355826-94-7) is a chemical compound with molecular formula C21H17ClIN3O3S and molecular weight 552.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carbonitrile
Also Known As: AN-648/15098006, 4-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile, 4-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, 4-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carbonitrile, 6-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-3-methyl-2-methylthio-4 -oxo-3-hydropyrimidine-5-carbonitrile
| Molecular Formula | C21H17ClIN3O3S |
|---|---|
| Molecular Weight | 552.97 g/mol |
| LogP | 4.88648 |
| Topological Polar Surface Area | 77.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 552.9724 |
| Heavy Atoms | 30 |
| Complexity | 1190.0717 |
Chemical Identifiers
| CAS Number | 355826-94-7 |
|---|---|
| SMILES | CN1C(=O)C(=C(N=C1SC)C2=CC(=C(C(=C2)I)OCC3=CC=C(C=C3)Cl)OC)C#N |
Product Overview
AN-648/15098006 (CAS 355826-94-7), with molecular formula C21H17ClIN3O3S and molecular weight 552.97 g/mol. IUPAC: 4-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carbonitrile.
Chemical Property Profile of AN-648/15098006
Property Insights of AN-648/15098006
The XLogP value of 4.88648 indicates that AN-648/15098006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/15098006. Following Lipinski's Rule of Five, AN-648/15098006 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-648/15098006?
The CAS number of AN-648/15098006 is 355826-94-7.
What is the molecular formula of AN-648/15098006?
The molecular formula of AN-648/15098006 is C21H17ClIN3O3S.
What is the molecular weight of AN-648/15098006?
The molecular weight of AN-648/15098006 is 552.97 g/mol.
Where can I buy AN-648/15098006?
You can request a quote for AN-648/15098006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/15098006?
Yes, KEHONG BIO provides custom synthesis services for AN-648/15098006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.