![2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/4614/461436-89-5.webp)
2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 461436-89-5) is a chemical compound with molecular formula C16H22N2OS2 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-sulfanylidene-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13(18)-dien-14-one
Also Known As: 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one, AE-848/15115056, A3983/0169678, 16-sulfanylidene-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13(18)-dien-14-one, 2-sulfanyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C16H22N2OS2 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 4.86659 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.11737 |
| Heavy Atoms | 21 |
| Complexity | 725.9327 |
Chemical Identifiers
| CAS Number | 461436-89-5 |
|---|---|
| SMILES | C1CCCCCC2=C(CCCC1)C3=C(S2)NC(=S)NC3=O |
Product Overview
2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 461436-89-5), with molecular formula C16H22N2OS2 and molecular weight 322.12 g/mol. IUPAC: 16-sulfanylidene-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13(18)-dien-14-one.
Chemical Property Profile of 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 4.86659 indicates that 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.65 Ų, 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one has 2 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 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 461436-89-5.
What is the molecular formula of 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one is C16H22N2OS2.
What is the molecular weight of 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 322.12 g/mol.
Where can I buy 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-thioxo-2,3,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.