AB00601335-02
TL;DR: AB00601335-02 (CAS 403727-90-2) is a chemical compound with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-propyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: AB00601335-02, F0912-3425, 3-propyl-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-propyl-2-sulfanylidene-1H-quinazolin-4-one, 3-propyl-2-sulfanylidene-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2,3,4-tetrahydroquinazolin-4-one
| Molecular Formula | C21H21N3O2S |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 3.66759 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.13544 |
| Heavy Atoms | 27 |
| Complexity | 1146.1073 |
Chemical Identifiers
| CAS Number | 403727-90-2 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)NC1=S |
Product Overview
AB00601335-02 (CAS 403727-90-2), with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol. IUPAC: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-propyl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of AB00601335-02
Property Insights of AB00601335-02
The XLogP value of 3.66759 indicates that AB00601335-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, AB00601335-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00601335-02 has 1 hydrogen bond donor(s) and 3 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 AB00601335-02?
The CAS number of AB00601335-02 is 403727-90-2.
What is the molecular formula of AB00601335-02?
The molecular formula of AB00601335-02 is C21H21N3O2S.
What is the molecular weight of AB00601335-02?
The molecular weight of AB00601335-02 is 379.14 g/mol.
Where can I buy AB00601335-02?
You can request a quote for AB00601335-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00601335-02?
Yes, KEHONG BIO provides custom synthesis services for AB00601335-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.