AB00686186-01
TL;DR: AB00686186-01 (CAS 866014-27-9) is a chemical compound with molecular formula C24H23N3O5S2 and molecular weight 497.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[3-(3-methoxypropyl)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AB00686186-01, F1601-0454, methyl 2-(2-{[5-(3-methoxypropyl)-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}acetamido)benzoate, methyl 2-[[2-[[3-(3-methoxypropyl)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate, methyl 2-(2-((3-(3-methoxypropyl)-4-oxo-3,4-dihydrobenzo[4,5]thieno[3,2-d]pyrimidin-2-yl)thio)acetamido)benzoate
| Molecular Formula | C24H23N3O5S2 |
|---|---|
| Molecular Weight | 497.11 g/mol |
| LogP | 4.1651 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 497.1079 |
| Heavy Atoms | 34 |
| Complexity | 1413.0206 |
Chemical Identifiers
| CAS Number | 866014-27-9 |
|---|---|
| SMILES | COCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4=CC=CC=C4C(=O)OC |
Product Overview
AB00686186-01 (CAS 866014-27-9), with molecular formula C24H23N3O5S2 and molecular weight 497.11 g/mol. IUPAC: methyl 2-[[2-[[3-(3-methoxypropyl)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB00686186-01
Property Insights of AB00686186-01
The XLogP value of 4.1651 indicates that AB00686186-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686186-01. Following Lipinski's Rule of Five, AB00686186-01 has 1 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 AB00686186-01?
The CAS number of AB00686186-01 is 866014-27-9.
What is the molecular formula of AB00686186-01?
The molecular formula of AB00686186-01 is C24H23N3O5S2.
What is the molecular weight of AB00686186-01?
The molecular weight of AB00686186-01 is 497.11 g/mol.
Where can I buy AB00686186-01?
You can request a quote for AB00686186-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686186-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686186-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.