AB00674729-01
TL;DR: AB00674729-01 (CAS 866015-04-5) is a chemical compound with molecular formula C27H20ClN3OS2 and molecular weight 501.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-3-[2-(1H-indol-3-yl)ethyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one
Also Known As: AB00674729-01, F1601-0509, 4-{[(2-chlorophenyl)methyl]sulfanyl}-5-[2-(1H-indol-3-yl)ethyl]-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-6-one, 2-[(2-chlorophenyl)methylsulfanyl]-3-[2-(1H-indol-3-yl)ethyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one, 3-[(o-chlorophenyl)methylthio]-2-[2-(3-indolyl)ethyl]-9-thia-2,4-diaza-1(2H)-fluorenone
| Molecular Formula | C27H20ClN3OS2 |
|---|---|
| Molecular Weight | 501.07 g/mol |
| LogP | 7.2809 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.07364 |
| Heavy Atoms | 34 |
| Complexity | 1716.3788 |
Chemical Identifiers
| CAS Number | 866015-04-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CCC4=CNC5=CC=CC=C54)SC6=CC=CC=C63)Cl |
Product Overview
AB00674729-01 (CAS 866015-04-5), with molecular formula C27H20ClN3OS2 and molecular weight 501.07 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-3-[2-(1H-indol-3-yl)ethyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one.
Chemical Property Profile of AB00674729-01
Property Insights of AB00674729-01
The XLogP value of 7.2809 indicates that AB00674729-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, AB00674729-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00674729-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00674729-01?
The CAS number of AB00674729-01 is 866015-04-5.
What is the molecular formula of AB00674729-01?
The molecular formula of AB00674729-01 is C27H20ClN3OS2.
What is the molecular weight of AB00674729-01?
The molecular weight of AB00674729-01 is 501.07 g/mol.
Where can I buy AB00674729-01?
You can request a quote for AB00674729-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00674729-01?
Yes, KEHONG BIO provides custom synthesis services for AB00674729-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.