AN-081/12320015
TL;DR: AN-081/12320015 (CAS 356586-47-5) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-9-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
Also Known As: AN-081/12320015, 3-ethyl-1-methyl-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 3-ethyl-1-methyl-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 356586-47-5 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N(C1=O)C)SC3=C2CCC3 |
| InChIKey | UVDXYPBXWONAPA-UHFFFAOYSA-N |
Product Overview
AN-081/12320015 (CAS 356586-47-5), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 11-ethyl-9-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione.
Chemical Property Profile of AN-081/12320015
Property Insights of AN-081/12320015
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-081/12320015. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-081/12320015. Following Lipinski's Rule of Five, AN-081/12320015 has 0 hydrogen bond donor(s) and 3 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-081/12320015?
The CAS number of AN-081/12320015 is 356586-47-5.
What is the molecular formula of AN-081/12320015?
The molecular formula of AN-081/12320015 is C12H14N2O2S.
What is the molecular weight of AN-081/12320015?
The molecular weight of AN-081/12320015 is 250.08 g/mol.
Where can I buy AN-081/12320015?
You can request a quote for AN-081/12320015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-081/12320015?
Yes, KEHONG BIO provides custom synthesis services for AN-081/12320015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.