![3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one structure](/static/products/867/867330-00-5.png)
3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
TL;DR: 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one (CAS 867330-00-5) is a chemical compound with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
Also Known As: 5-(Prop-2-en-1-yl)-4-sulfanyl-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-6-one, 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, 3-prop-2-enyl-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one, 2,3-Dihydro-3-(2-propen-1-yl)-2-thioxobenzofuro[3,2-d]pyrimidin-4(1H)-one, 3-prop-2-enyl-2-sulfanyl-3-hydrobenzo[d]pyrimidino[5,4-b]furan-4-one
| Molecular Formula | C13H10N2O2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 2.99129 |
| Topological Polar Surface Area | 50.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0463 |
| Heavy Atoms | 18 |
| Complexity | 869.9455 |
Chemical Identifiers
| CAS Number | 867330-00-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3O2)NC1=S |
Product Overview
3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one (CAS 867330-00-5), with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol. IUPAC: 3-prop-2-enyl-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
Property Insights of 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 2.99129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 50.93 Ų, 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one 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 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one is 867330-00-5.
What is the molecular formula of 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one is C13H10N2O2S.
What is the molecular weight of 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one is 258.05 g/mol.
Where can I buy 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-mercapto[1]benzofuro[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.