AN-648/14354047
TL;DR: AN-648/14354047 (CAS 433249-49-1) is a chemical compound with molecular formula C27H25N3O4S and molecular weight 487.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2,5-dimethyl-3-[(E)-[1-methyl-3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoate
Also Known As: AN-648/14354047, methyl 3-[2,5-dimethyl-3-[(E)-[1-methyl-3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoate, methyl 3-{2,5-dimethyl-3-[(1-methyl-3-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoate, (E)-methyl 3-(2,5-dimethyl-3-((1-methyl-4,6-dioxo-2-thioxo-3-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)benzoate
| Molecular Formula | C27H25N3O4S |
|---|---|
| Molecular Weight | 487.16 g/mol |
| LogP | 4.36266 |
| Topological Polar Surface Area | 71.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.1566 |
| Heavy Atoms | 35 |
| Complexity | 1402.2795 |
Chemical Identifiers
| CAS Number | 433249-49-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=CC(=C4)C(=O)OC)C)/C(=O)N(C2=S)C |
Product Overview
AN-648/14354047 (CAS 433249-49-1), with molecular formula C27H25N3O4S and molecular weight 487.16 g/mol. IUPAC: methyl 3-[2,5-dimethyl-3-[(E)-[1-methyl-3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoate.
Chemical Property Profile of AN-648/14354047
Property Insights of AN-648/14354047
The XLogP value of 4.36266 indicates that AN-648/14354047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/14354047. Following Lipinski's Rule of Five, AN-648/14354047 has 0 hydrogen bond donor(s) and 5 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 AN-648/14354047?
The CAS number of AN-648/14354047 is 433249-49-1.
What is the molecular formula of AN-648/14354047?
The molecular formula of AN-648/14354047 is C27H25N3O4S.
What is the molecular weight of AN-648/14354047?
The molecular weight of AN-648/14354047 is 487.16 g/mol.
Where can I buy AN-648/14354047?
You can request a quote for AN-648/14354047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/14354047?
Yes, KEHONG BIO provides custom synthesis services for AN-648/14354047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.