C17H18N4O3S
TL;DR: C17H18N4O3S (CAS 339347-43-2) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: (E)-2-(2-(furan-2-ylmethylene)hydrazinyl)-3,6,6-trimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3,6,6-trimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.8853 |
| Topological Polar Surface Area | 81.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 1014.8593 |
Chemical Identifiers
| CAS Number | 339347-43-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)N/N=C/C4=CC=CO4)C)C |
Product Overview
C17H18N4O3S (CAS 339347-43-2), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: 5-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of C17H18N4O3S
Property Insights of C17H18N4O3S
The XLogP value of 2.8853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H18N4O3S. The TPSA of 81.65 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H18N4O3S. Following Lipinski's Rule of Five, C17H18N4O3S has 1 hydrogen bond donor(s) and 7 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 C17H18N4O3S?
The CAS number of C17H18N4O3S is 339347-43-2.
What is the molecular formula of C17H18N4O3S?
The molecular formula of C17H18N4O3S is C17H18N4O3S.
What is the molecular weight of C17H18N4O3S?
The molecular weight of C17H18N4O3S is 358.11 g/mol.
Where can I buy C17H18N4O3S?
You can request a quote for C17H18N4O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H18N4O3S?
Yes, KEHONG BIO provides custom synthesis services for C17H18N4O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.