AB00091116-01
TL;DR: AB00091116-01 (CAS 306280-93-3) is a chemical compound with molecular formula C13H16N4O3S and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(E)-dimethylaminomethylideneamino]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: AB00091116-01, F0239-0792, AH-034/11650370, ethyl 3-[(E)-[(dimethylamino)methylidene]amino]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate, (E)-ethyl 3-(((dimethylamino)methylene)amino)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C13H16N4O3S |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 1.29612 |
| Topological Polar Surface Area | 76.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0943 |
| Heavy Atoms | 21 |
| Complexity | 760.59753 |
Chemical Identifiers
| CAS Number | 306280-93-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)/N=C/N(C)C)C |
Product Overview
AB00091116-01 (CAS 306280-93-3), with molecular formula C13H16N4O3S and molecular weight 308.09 g/mol. IUPAC: ethyl 3-[(E)-dimethylaminomethylideneamino]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of AB00091116-01
Property Insights of AB00091116-01
The XLogP value of 1.29612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00091116-01. The TPSA of 76.79 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00091116-01. Following Lipinski's Rule of Five, AB00091116-01 has 0 hydrogen bond donor(s) and 6 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 AB00091116-01?
The CAS number of AB00091116-01 is 306280-93-3.
What is the molecular formula of AB00091116-01?
The molecular formula of AB00091116-01 is C13H16N4O3S.
What is the molecular weight of AB00091116-01?
The molecular weight of AB00091116-01 is 308.09 g/mol.
Where can I buy AB00091116-01?
You can request a quote for AB00091116-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00091116-01?
Yes, KEHONG BIO provides custom synthesis services for AB00091116-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.