Hedgehog IN-8
TL;DR: Hedgehog IN-8 (CAS 314041-83-3) is a chemical compound with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-11-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: Hedgehog IN-8, 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-3-ethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, BAS 02376330, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 10-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-11-ETHYL-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0(2),?]DODECA-1(8),2(6),9-TRIEN-12-ONE
| Molecular Formula | C19H17ClN2O2S2 |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 4.595 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.042 |
| Heavy Atoms | 26 |
| Complexity | 1054.0718 |
Chemical Identifiers
| CAS Number | 314041-83-3 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)SC4=C2CCC4 |
Product Overview
Hedgehog IN-8 (CAS 314041-83-3), with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol. IUPAC: 10-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-11-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of Hedgehog IN-8
Property Insights of Hedgehog IN-8
The XLogP value of 4.595 indicates that Hedgehog IN-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, Hedgehog IN-8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hedgehog IN-8 has 0 hydrogen bond donor(s) and 5 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 Hedgehog IN-8?
The CAS number of Hedgehog IN-8 is 314041-83-3.
What is the molecular formula of Hedgehog IN-8?
The molecular formula of Hedgehog IN-8 is C19H17ClN2O2S2.
What is the molecular weight of Hedgehog IN-8?
The molecular weight of Hedgehog IN-8 is 404.04 g/mol.
Where can I buy Hedgehog IN-8?
You can request a quote for Hedgehog IN-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hedgehog IN-8?
Yes, KEHONG BIO provides custom synthesis services for Hedgehog IN-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.