AB00105035-01
TL;DR: AB00105035-01 (CAS 332159-07-6) is a chemical compound with molecular formula C15H9FN2O2S2 and molecular weight 332.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(2-fluorophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione
Also Known As: AB00105035-01, (5E)-1-(2-fluorophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione, (5E)-1-(2-fluorophenyl)-2-sulfanyl-5-(thiophen-2-ylmethylidene)pyrimidine-4,6(1H,5H)-dione, (E)-1-(2-fluorophenyl)-5-(thiophen-2-ylmethylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C15H9FN2O2S2 |
|---|---|
| Molecular Weight | 332.01 g/mol |
| LogP | 2.7185 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.00894 |
| Heavy Atoms | 22 |
| Complexity | 799.6336 |
Chemical Identifiers
| CAS Number | 332159-07-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=O)/C(=C/C3=CC=CS3)/C(=O)NC2=S)F |
Product Overview
AB00105035-01 (CAS 332159-07-6), with molecular formula C15H9FN2O2S2 and molecular weight 332.01 g/mol. IUPAC: (5E)-1-(2-fluorophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00105035-01
Property Insights of AB00105035-01
The XLogP value of 2.7185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00105035-01. With a topological polar surface area (TPSA) of 49.41 Ų, AB00105035-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00105035-01 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 AB00105035-01?
The CAS number of AB00105035-01 is 332159-07-6.
What is the molecular formula of AB00105035-01?
The molecular formula of AB00105035-01 is C15H9FN2O2S2.
What is the molecular weight of AB00105035-01?
The molecular weight of AB00105035-01 is 332.01 g/mol.
Where can I buy AB00105035-01?
You can request a quote for AB00105035-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105035-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105035-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.