AB00686054-01
TL;DR: AB00686054-01 (CAS 500202-79-9) is a chemical compound with molecular formula C20H23N3O4S3 and molecular weight 465.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoylamino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AB00686054-01, F1440-0028, ethyl 2-({3-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(3-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)propanamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[3-({5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)propanamido]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C20H23N3O4S3 |
|---|---|
| Molecular Weight | 465.09 g/mol |
| LogP | 4.57738 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.08508 |
| Heavy Atoms | 30 |
| Complexity | 1176.3693 |
Chemical Identifiers
| CAS Number | 500202-79-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCSC2=NC3=C(C(=C(S3)C)C)C(=O)N2 |
Product Overview
AB00686054-01 (CAS 500202-79-9), with molecular formula C20H23N3O4S3 and molecular weight 465.09 g/mol. IUPAC: ethyl 2-[3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoylamino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of AB00686054-01
Property Insights of AB00686054-01
The XLogP value of 4.57738 indicates that AB00686054-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686054-01. Following Lipinski's Rule of Five, AB00686054-01 has 2 hydrogen bond donor(s) and 8 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 AB00686054-01?
The CAS number of AB00686054-01 is 500202-79-9.
What is the molecular formula of AB00686054-01?
The molecular formula of AB00686054-01 is C20H23N3O4S3.
What is the molecular weight of AB00686054-01?
The molecular weight of AB00686054-01 is 465.09 g/mol.
Where can I buy AB00686054-01?
You can request a quote for AB00686054-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686054-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686054-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.