AB00684553-01
TL;DR: AB00684553-01 (CAS 851130-31-9) is a chemical compound with molecular formula C23H21N3O4S2 and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00684553-01, F0596-0042, ethyl 2-(2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H21N3O4S2 |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 5.2238 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.09735 |
| Heavy Atoms | 32 |
| Complexity | 1327.7756 |
Chemical Identifiers
| CAS Number | 851130-31-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54 |
Product Overview
AB00684553-01 (CAS 851130-31-9), with molecular formula C23H21N3O4S2 and molecular weight 467.10 g/mol. IUPAC: ethyl 2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00684553-01
Property Insights of AB00684553-01
The XLogP value of 5.2238 indicates that AB00684553-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684553-01. Following Lipinski's Rule of Five, AB00684553-01 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00684553-01?
The CAS number of AB00684553-01 is 851130-31-9.
What is the molecular formula of AB00684553-01?
The molecular formula of AB00684553-01 is C23H21N3O4S2.
What is the molecular weight of AB00684553-01?
The molecular weight of AB00684553-01 is 467.10 g/mol.
Where can I buy AB00684553-01?
You can request a quote for AB00684553-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684553-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684553-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.