J3.442.257E
TL;DR: J3.442.257E (CAS 325700-55-8) is a chemical compound with molecular formula C14H17N5OS2 and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)amino]-3-prop-2-enylthiourea
Also Known As: J3.442.257E, 2-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-(prop-2-en-1-yl)hydrazinecarbothioamide, F1266-0005, 1-({3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}amino)-3-(prop-2-en-1-yl)thiourea, 1-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)amino]-3-prop-2-enylthiourea
| Molecular Formula | C14H17N5OS2 |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 1.8404 |
| Topological Polar Surface Area | 81.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.08746 |
| Heavy Atoms | 22 |
| Complexity | 779.3666 |
Chemical Identifiers
| CAS Number | 325700-55-8 |
|---|---|
| SMILES | C=CCNC(=S)NNC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 |
Product Overview
J3.442.257E (CAS 325700-55-8), with molecular formula C14H17N5OS2 and molecular weight 335.09 g/mol. IUPAC: 1-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)amino]-3-prop-2-enylthiourea.
Chemical Property Profile of J3.442.257E
Property Insights of J3.442.257E
The XLogP value of 1.8404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J3.442.257E. The TPSA of 81.84 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.442.257E. Following Lipinski's Rule of Five, J3.442.257E has 4 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 J3.442.257E?
The CAS number of J3.442.257E is 325700-55-8.
What is the molecular formula of J3.442.257E?
The molecular formula of J3.442.257E is C14H17N5OS2.
What is the molecular weight of J3.442.257E?
The molecular weight of J3.442.257E is 335.09 g/mol.
Where can I buy J3.442.257E?
You can request a quote for J3.442.257E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.442.257E?
Yes, KEHONG BIO provides custom synthesis services for J3.442.257E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.