AL-281/36996039
TL;DR: AL-281/36996039 (CAS 327168-01-4) is a chemical compound with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,12,12-trimethyl-7-phenyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: AL-281/36996039, 1,7,7-trimethyl-4-phenyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1,7,7-trimethyl-4-phenyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 8-Oxa-10-thia-2,3,4,10b-tetraaza-cyclopenta[a]fluoren-5(4H)-one, 6,7,9,10b-tetrahydro-1,7,7-trimethyl-5-oxo-4-phenyl-
| Molecular Formula | C19H18N4O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 366.11505 |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 327168-01-4 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2C5=CC=CC=C5 |
| InChIKey | QIYOWZQBMCBRTA-UHFFFAOYSA-N |
Product Overview
AL-281/36996039 (CAS 327168-01-4), with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol. IUPAC: 3,12,12-trimethyl-7-phenyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of AL-281/36996039
Property Insights of AL-281/36996039
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AL-281/36996039. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AL-281/36996039. Following Lipinski's Rule of Five, AL-281/36996039 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 AL-281/36996039?
The CAS number of AL-281/36996039 is 327168-01-4.
What is the molecular formula of AL-281/36996039?
The molecular formula of AL-281/36996039 is C19H18N4O2S.
What is the molecular weight of AL-281/36996039?
The molecular weight of AL-281/36996039 is 366.12 g/mol.
Where can I buy AL-281/36996039?
You can request a quote for AL-281/36996039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AL-281/36996039?
Yes, KEHONG BIO provides custom synthesis services for AL-281/36996039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.