A2659/0113383
TL;DR: A2659/0113383 (CAS 401574-25-2) is a chemical compound with molecular formula C28H27N3O4S2 and molecular weight 533.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(7-ethyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: A2659/0113383, methyl 2-({[(7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 2-({[(7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetyl}amino)benzoate, methyl 2-({2-[(7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 2-(2-((7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate
| Molecular Formula | C28H27N3O4S2 |
|---|---|
| Molecular Weight | 533.14 g/mol |
| LogP | 5.4795 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 533.1443 |
| Heavy Atoms | 37 |
| Complexity | 1527.9647 |
Chemical Identifiers
| CAS Number | 401574-25-2 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4C(=O)OC)C5=CC=CC=C5 |
Product Overview
A2659/0113383 (CAS 401574-25-2), with molecular formula C28H27N3O4S2 and molecular weight 533.14 g/mol. IUPAC: methyl 2-[[2-[(7-ethyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of A2659/0113383
Property Insights of A2659/0113383
The XLogP value of 5.4795 indicates that A2659/0113383 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for A2659/0113383. Following Lipinski's Rule of Five, A2659/0113383 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2659/0113383?
The CAS number of A2659/0113383 is 401574-25-2.
What is the molecular formula of A2659/0113383?
The molecular formula of A2659/0113383 is C28H27N3O4S2.
What is the molecular weight of A2659/0113383?
The molecular weight of A2659/0113383 is 533.14 g/mol.
Where can I buy A2659/0113383?
You can request a quote for A2659/0113383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2659/0113383?
Yes, KEHONG BIO provides custom synthesis services for A2659/0113383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.