![4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione structure](/static/products/1125/112547-65-6.webp)
4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione
TL;DR: 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione (CAS 112547-65-6) is a chemical compound with molecular formula C20H20N2OS and molecular weight 336.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methoxyphenyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),11,13-tetraene-4-thione
Also Known As: 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione, 5T-0275, 6-(3-methoxyphenyl)-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),12,14-tetraene-4-thione, 6-(3-methoxyphenyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),11,13-tetraene-4-thione
| Molecular Formula | C20H20N2OS |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 3.9616 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.12964 |
| Heavy Atoms | 24 |
| Complexity | 827.8935 |
Chemical Identifiers
| CAS Number | 112547-65-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4CCC3)NC(=S)N2 |
Product Overview
4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione (CAS 112547-65-6), with molecular formula C20H20N2OS and molecular weight 336.13 g/mol. IUPAC: 6-(3-methoxyphenyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),11,13-tetraene-4-thione.
Chemical Property Profile of 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione
Property Insights of 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione
The XLogP value of 3.9616 indicates that 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.29 Ų, 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione has 2 hydrogen bond donor(s) and 2 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 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione?
The CAS number of 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione is 112547-65-6.
What is the molecular formula of 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione?
The molecular formula of 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione is C20H20N2OS.
What is the molecular weight of 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione?
The molecular weight of 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione is 336.13 g/mol.
Where can I buy 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione?
You can request a quote for 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.