![N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide structure](/static/products/339/339347-35-2.png)
N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide
TL;DR: N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide (CAS 339347-35-2) is a chemical compound with molecular formula C19H21N5O2S2 and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]thiourea
Also Known As: N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide, N-phenyl-2-(3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide
| Molecular Formula | C19H21N5O2S2 |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 3.1598 |
| Topological Polar Surface Area | 80.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.11368 |
| Heavy Atoms | 28 |
| Complexity | 1104.9497 |
Chemical Identifiers
| CAS Number | 339347-35-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)NNC(=S)NC4=CC=CC=C4)C)C |
Product Overview
N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide (CAS 339347-35-2), with molecular formula C19H21N5O2S2 and molecular weight 415.11 g/mol. IUPAC: 1-phenyl-3-[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]thiourea.
Chemical Property Profile of N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide
Property Insights of N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide
The XLogP value of 3.1598 indicates that N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide has 3 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 N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide?
The CAS number of N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide is 339347-35-2.
What is the molecular formula of N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide?
The molecular formula of N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide is C19H21N5O2S2.
What is the molecular weight of N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide?
The molecular weight of N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide is 415.11 g/mol.
Where can I buy N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide?
You can request a quote for N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.