AN-648/41301458
TL;DR: AN-648/41301458 (CAS 486440-06-6) is a chemical compound with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-yl)benzoate
Also Known As: AN-648/41301458, methyl 4-(9-oxo-6,7,9,10-tetrahydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-7-yl)benzoate, methyl 4-(9-oxo-5,7,9,10-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-7-yl)benzoate
| Molecular Formula | C22H18N2O3S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 3.8168 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.10382 |
| Heavy Atoms | 28 |
| Complexity | 1055.7064 |
Chemical Identifiers
| CAS Number | 486440-06-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)CS5 |
Product Overview
AN-648/41301458 (CAS 486440-06-6), with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol. IUPAC: methyl 4-(13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-yl)benzoate.
Chemical Property Profile of AN-648/41301458
Property Insights of AN-648/41301458
The XLogP value of 3.8168 indicates that AN-648/41301458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.97 Ų, AN-648/41301458 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-648/41301458 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-648/41301458?
The CAS number of AN-648/41301458 is 486440-06-6.
What is the molecular formula of AN-648/41301458?
The molecular formula of AN-648/41301458 is C22H18N2O3S.
What is the molecular weight of AN-648/41301458?
The molecular weight of AN-648/41301458 is 390.10 g/mol.
Where can I buy AN-648/41301458?
You can request a quote for AN-648/41301458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/41301458?
Yes, KEHONG BIO provides custom synthesis services for AN-648/41301458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.