AB00672890-01
TL;DR: AB00672890-01 (CAS 403728-28-9) is a chemical compound with molecular formula C24H31N3O2S and molecular weight 425.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(cyclohexen-1-yl)ethyl]-7-(3,5-dimethylpiperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: AB00672890-01, F0912-3469, 3-[2-(cyclohexen-1-yl)ethyl]-7-(3,5-dimethylpiperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(2-(cyclohex-1-en-1-yl)ethyl)-7-(3,5-dimethylpiperidine-1-carbonyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(3,5-dimethylpiperidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
| Molecular Formula | C24H31N3O2S |
|---|---|
| Molecular Weight | 425.21 g/mol |
| LogP | 5.06769 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.21368 |
| Heavy Atoms | 30 |
| Complexity | 1087.8035 |
Chemical Identifiers
| CAS Number | 403728-28-9 |
|---|---|
| SMILES | CC1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CCCCC4)C |
Product Overview
AB00672890-01 (CAS 403728-28-9), with molecular formula C24H31N3O2S and molecular weight 425.21 g/mol. IUPAC: 3-[2-(cyclohexen-1-yl)ethyl]-7-(3,5-dimethylpiperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of AB00672890-01
Property Insights of AB00672890-01
The XLogP value of 5.06769 indicates that AB00672890-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, AB00672890-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00672890-01 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672890-01?
The CAS number of AB00672890-01 is 403728-28-9.
What is the molecular formula of AB00672890-01?
The molecular formula of AB00672890-01 is C24H31N3O2S.
What is the molecular weight of AB00672890-01?
The molecular weight of AB00672890-01 is 425.21 g/mol.
Where can I buy AB00672890-01?
You can request a quote for AB00672890-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672890-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672890-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.