AB00719611-01
TL;DR: AB00719611-01 (CAS 91225-75-1) is a chemical compound with molecular formula C17H15ClN2OS2 and molecular weight 362.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AB00719611-01, 2-[(4-chlorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, AP-906/41927845, 2-{[(4-chlorophenyl)sulfanyl]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[[(4-Chlorophenyl)thio]methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C17H15ClN2OS2 |
|---|---|
| Molecular Weight | 362.03 g/mol |
| LogP | 4.8091 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.03143 |
| Heavy Atoms | 23 |
| Complexity | 914.72833 |
Chemical Identifiers
| CAS Number | 91225-75-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CSC4=CC=C(C=C4)Cl |
Product Overview
AB00719611-01 (CAS 91225-75-1), with molecular formula C17H15ClN2OS2 and molecular weight 362.03 g/mol. IUPAC: 2-[(4-chlorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AB00719611-01
Property Insights of AB00719611-01
The XLogP value of 4.8091 indicates that AB00719611-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, AB00719611-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00719611-01 has 1 hydrogen bond donor(s) and 4 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 AB00719611-01?
The CAS number of AB00719611-01 is 91225-75-1.
What is the molecular formula of AB00719611-01?
The molecular formula of AB00719611-01 is C17H15ClN2OS2.
What is the molecular weight of AB00719611-01?
The molecular weight of AB00719611-01 is 362.03 g/mol.
Where can I buy AB00719611-01?
You can request a quote for AB00719611-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00719611-01?
Yes, KEHONG BIO provides custom synthesis services for AB00719611-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.