AB00981071-01
TL;DR: AB00981071-01 (CAS 795291-21-3) is a chemical compound with molecular formula C23H19Cl2N3O3S and molecular weight 487.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(3,4-dichlorophenyl)furan-2-yl]-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
Also Known As: AB00981071-01, 5-[5-(3,4-dichlorophenyl)furan-2-yl]-8,8-dimethyl-2-sulfanyl-1H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione, 5-[5-(3,4-dichlorophenyl)furan-2-yl]-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
| Molecular Formula | C23H19Cl2N3O3S |
|---|---|
| Molecular Weight | 487.05 g/mol |
| LogP | 6.19989 |
| Topological Polar Surface Area | 90.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 487.05243 |
| Heavy Atoms | 32 |
| Complexity | 1430.7236 |
Chemical Identifiers
| CAS Number | 795291-21-3 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(N2)NC(=S)NC3=O)C4=CC=C(O4)C5=CC(=C(C=C5)Cl)Cl)C(=O)C1)C |
Product Overview
AB00981071-01 (CAS 795291-21-3), with molecular formula C23H19Cl2N3O3S and molecular weight 487.05 g/mol. IUPAC: 5-[5-(3,4-dichlorophenyl)furan-2-yl]-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione.
Chemical Property Profile of AB00981071-01
Property Insights of AB00981071-01
The XLogP value of 6.19989 indicates that AB00981071-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00981071-01. Following Lipinski's Rule of Five, AB00981071-01 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00981071-01?
The CAS number of AB00981071-01 is 795291-21-3.
What is the molecular formula of AB00981071-01?
The molecular formula of AB00981071-01 is C23H19Cl2N3O3S.
What is the molecular weight of AB00981071-01?
The molecular weight of AB00981071-01 is 487.05 g/mol.
Where can I buy AB00981071-01?
You can request a quote for AB00981071-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00981071-01?
Yes, KEHONG BIO provides custom synthesis services for AB00981071-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.