AB00112688-01
TL;DR: AB00112688-01 (CAS 1164516-61-3) is a chemical compound with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00112688-01, 1-allyl-5-{[5-(4-morpholinyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (Z)-1-allyl-5-((5-morpholinofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C16H17N3O4S |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 0.9289 |
| Topological Polar Surface Area | 75.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.09396 |
| Heavy Atoms | 24 |
| Complexity | 718.65967 |
Chemical Identifiers
| CAS Number | 1164516-61-3 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=C(O2)N3CCOCC3)/C(=O)NC1=S |
Product Overview
AB00112688-01 (CAS 1164516-61-3), with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol. IUPAC: (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00112688-01
Property Insights of AB00112688-01
The XLogP value of 0.9289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00112688-01. The TPSA of 75.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112688-01. Following Lipinski's Rule of Five, AB00112688-01 has 1 hydrogen bond donor(s) and 6 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 AB00112688-01?
The CAS number of AB00112688-01 is 1164516-61-3.
What is the molecular formula of AB00112688-01?
The molecular formula of AB00112688-01 is C16H17N3O4S.
What is the molecular weight of AB00112688-01?
The molecular weight of AB00112688-01 is 347.09 g/mol.
Where can I buy AB00112688-01?
You can request a quote for AB00112688-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112688-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112688-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.