AB00114673-01
TL;DR: AB00114673-01 (CAS 431071-99-7) is a chemical compound with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00114673-01, AN-698/40781859, (5E)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-{(E)-1-[2,5-DIMETHYL-1-(4-PYRIDYL)-1H-PYRROL-3-YL]METHYLIDENE}-1-PHENYL-2-THIOXODIHYDRO-4,6(1H,5H)-PYRIMIDINEDIONE
| Molecular Formula | C22H18N4O2S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 3.32044 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.11505 |
| Heavy Atoms | 29 |
| Complexity | 1150.3152 |
Chemical Identifiers
| CAS Number | 431071-99-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=NC=C2)C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=CC=C4 |
Product Overview
AB00114673-01 (CAS 431071-99-7), with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol. IUPAC: (5E)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00114673-01
Property Insights of AB00114673-01
The XLogP value of 3.32044 indicates that AB00114673-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114673-01. Following Lipinski's Rule of Five, AB00114673-01 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 AB00114673-01?
The CAS number of AB00114673-01 is 431071-99-7.
What is the molecular formula of AB00114673-01?
The molecular formula of AB00114673-01 is C22H18N4O2S.
What is the molecular weight of AB00114673-01?
The molecular weight of AB00114673-01 is 402.12 g/mol.
Where can I buy AB00114673-01?
You can request a quote for AB00114673-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114673-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114673-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.