AB00098003-01
TL;DR: AB00098003-01 (CAS 352343-53-4) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00098003-01, (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-allyl-5-((1-methyl-1H-pyrrol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C13H13N3O2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 0.8378 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.07285 |
| Heavy Atoms | 19 |
| Complexity | 600.7844 |
Chemical Identifiers
| CAS Number | 352343-53-4 |
|---|---|
| SMILES | CN1C=CC=C1/C=C\2/C(=O)NC(=S)N(C2=O)CC=C |
Product Overview
AB00098003-01 (CAS 352343-53-4), with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol. IUPAC: (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00098003-01
Property Insights of AB00098003-01
The XLogP value of 0.8378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00098003-01. With a topological polar surface area (TPSA) of 54.34 Ų, AB00098003-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00098003-01 has 1 hydrogen bond donor(s) and 3 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 AB00098003-01?
The CAS number of AB00098003-01 is 352343-53-4.
What is the molecular formula of AB00098003-01?
The molecular formula of AB00098003-01 is C13H13N3O2S.
What is the molecular weight of AB00098003-01?
The molecular weight of AB00098003-01 is 275.07 g/mol.
Where can I buy AB00098003-01?
You can request a quote for AB00098003-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098003-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098003-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.