AB00122442-01
TL;DR: AB00122442-01 (CAS 433241-78-2) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00122442-01, AO-081/15386929, (5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(3-methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 2.59124 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 1009.3503 |
Chemical Identifiers
| CAS Number | 433241-78-2 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)OC |
Product Overview
AB00122442-01 (CAS 433241-78-2), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: (5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00122442-01
Property Insights of AB00122442-01
The XLogP value of 2.59124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00122442-01. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122442-01. Following Lipinski's Rule of Five, AB00122442-01 has 1 hydrogen bond donor(s) and 5 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 AB00122442-01?
The CAS number of AB00122442-01 is 433241-78-2.
What is the molecular formula of AB00122442-01?
The molecular formula of AB00122442-01 is C21H23N3O4S.
What is the molecular weight of AB00122442-01?
The molecular weight of AB00122442-01 is 413.14 g/mol.
Where can I buy AB00122442-01?
You can request a quote for AB00122442-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122442-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122442-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.