AB00121969-01
TL;DR: AB00121969-01 (CAS 371213-72-8) is a chemical compound with molecular formula C21H21BrN4O3S and molecular weight 488.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00121969-01, AO-081/15246989, 5-({1-[3-bromo-4-(4-morpholinyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-[[1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-({1-[3-bromo-4-(morpholin-4-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
| Molecular Formula | C21H21BrN4O3S |
|---|---|
| Molecular Weight | 488.05 g/mol |
| LogP | 2.60754 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 488.05176 |
| Heavy Atoms | 30 |
| Complexity | 1064.1609 |
Chemical Identifiers
| CAS Number | 371213-72-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)C=C4C(=O)NC(=S)NC4=O |
Product Overview
AB00121969-01 (CAS 371213-72-8), with molecular formula C21H21BrN4O3S and molecular weight 488.05 g/mol. IUPAC: 5-[[1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00121969-01
Property Insights of AB00121969-01
The XLogP value of 2.60754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00121969-01. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00121969-01. Following Lipinski's Rule of Five, AB00121969-01 has 2 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 AB00121969-01?
The CAS number of AB00121969-01 is 371213-72-8.
What is the molecular formula of AB00121969-01?
The molecular formula of AB00121969-01 is C21H21BrN4O3S.
What is the molecular weight of AB00121969-01?
The molecular weight of AB00121969-01 is 488.05 g/mol.
Where can I buy AB00121969-01?
You can request a quote for AB00121969-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00121969-01?
Yes, KEHONG BIO provides custom synthesis services for AB00121969-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.