AN-648/40740483
TL;DR: AN-648/40740483 (CAS 6343-56-2) is a chemical compound with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoate
Also Known As: ChemDiv1_006922, AN-648/40740483, methyl 4-[3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoate, methyl 4-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate, METHYL 4-{3-[(1,3-DIMETHYL-4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE)METHYL]-2,5-DIMETHYL-1H-PYRROL-1-YL}-3-METHYLBENZOATE
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 2.78786 |
| Topological Polar Surface Area | 71.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 1103.6427 |
Chemical Identifiers
| CAS Number | 6343-56-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=C3C(=O)N(C(=S)N(C3=O)C)C |
Product Overview
AN-648/40740483 (CAS 6343-56-2), with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol. IUPAC: methyl 4-[3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoate.
Chemical Property Profile of AN-648/40740483
Property Insights of AN-648/40740483
The XLogP value of 2.78786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-648/40740483. The TPSA of 71.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/40740483. Following Lipinski's Rule of Five, AN-648/40740483 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-648/40740483?
The CAS number of AN-648/40740483 is 6343-56-2.
What is the molecular formula of AN-648/40740483?
The molecular formula of AN-648/40740483 is C22H23N3O4S.
What is the molecular weight of AN-648/40740483?
The molecular weight of AN-648/40740483 is 425.14 g/mol.
Where can I buy AN-648/40740483?
You can request a quote for AN-648/40740483 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/40740483?
Yes, KEHONG BIO provides custom synthesis services for AN-648/40740483 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.