CYCLOHEPT-1-ENE-1-CARBALDEHYDE
TL;DR: CYCLOHEPT-1-ENE-1-CARBALDEHYDE (CAS 351006-00-3) is a chemical compound with molecular formula C18H19N3OS2 and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-11-propan-2-yl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: CYCLOHEPT-1-ENE-1-CARBALDEHYDE, BIM-0032862.P001, 3-phenyl-7-(propan-2-yl)-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-Phenyl-7-(propan-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 3-phenyl-7-propan-2-yl-2-sulfanylidene-1,5,6,8-tetrahydropyrido[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C18H19N3OS2 |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 3.87629 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.09695 |
| Heavy Atoms | 24 |
| Complexity | 1014.4053 |
Chemical Identifiers
| CAS Number | 351006-00-3 |
|---|---|
| SMILES | CC(C)N1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC=CC=C4 |
Product Overview
CYCLOHEPT-1-ENE-1-CARBALDEHYDE (CAS 351006-00-3), with molecular formula C18H19N3OS2 and molecular weight 357.10 g/mol. IUPAC: 4-phenyl-11-propan-2-yl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of CYCLOHEPT-1-ENE-1-CARBALDEHYDE
Property Insights of CYCLOHEPT-1-ENE-1-CARBALDEHYDE
The XLogP value of 3.87629 indicates that CYCLOHEPT-1-ENE-1-CARBALDEHYDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.03 Ų, CYCLOHEPT-1-ENE-1-CARBALDEHYDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CYCLOHEPT-1-ENE-1-CARBALDEHYDE has 1 hydrogen bond donor(s) and 4 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 CYCLOHEPT-1-ENE-1-CARBALDEHYDE?
The CAS number of CYCLOHEPT-1-ENE-1-CARBALDEHYDE is 351006-00-3.
What is the molecular formula of CYCLOHEPT-1-ENE-1-CARBALDEHYDE?
The molecular formula of CYCLOHEPT-1-ENE-1-CARBALDEHYDE is C18H19N3OS2.
What is the molecular weight of CYCLOHEPT-1-ENE-1-CARBALDEHYDE?
The molecular weight of CYCLOHEPT-1-ENE-1-CARBALDEHYDE is 357.10 g/mol.
Where can I buy CYCLOHEPT-1-ENE-1-CARBALDEHYDE?
You can request a quote for CYCLOHEPT-1-ENE-1-CARBALDEHYDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CYCLOHEPT-1-ENE-1-CARBALDEHYDE?
Yes, KEHONG BIO provides custom synthesis services for CYCLOHEPT-1-ENE-1-CARBALDEHYDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.