AN-648/12904055
TL;DR: AN-648/12904055 (CAS 292641-77-1) is a chemical compound with molecular formula C29H27N3O3S2 and molecular weight 529.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[(1-prop-2-enylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AN-648/12904055, (Z)-ethyl 2-((1-allyl-1H-indol-3-yl)methylene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[(1-prop-2-enylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-[(1-allyl-1H-indol-3-yl)methylene]-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C29H27N3O3S2 |
|---|---|
| Molecular Weight | 529.15 g/mol |
| LogP | 4.6609 |
| Topological Polar Surface Area | 65.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.1494 |
| Heavy Atoms | 37 |
| Complexity | 1722.5555 |
Chemical Identifiers
| CAS Number | 292641-77-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)/C(=C/C4=CN(C5=CC=CC=C54)CC=C)/S2)C |
Product Overview
AN-648/12904055 (CAS 292641-77-1), with molecular formula C29H27N3O3S2 and molecular weight 529.15 g/mol. IUPAC: ethyl (2Z)-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[(1-prop-2-enylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AN-648/12904055
Property Insights of AN-648/12904055
The XLogP value of 4.6609 indicates that AN-648/12904055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/12904055. Following Lipinski's Rule of Five, AN-648/12904055 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-648/12904055?
The CAS number of AN-648/12904055 is 292641-77-1.
What is the molecular formula of AN-648/12904055?
The molecular formula of AN-648/12904055 is C29H27N3O3S2.
What is the molecular weight of AN-648/12904055?
The molecular weight of AN-648/12904055 is 529.15 g/mol.
Where can I buy AN-648/12904055?
You can request a quote for AN-648/12904055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/12904055?
Yes, KEHONG BIO provides custom synthesis services for AN-648/12904055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.