IDI1_021102
TL;DR: IDI1_021102 (CAS 385385-62-6) is a chemical compound with molecular formula C19H19N3S2 and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Also Known As: IDI1_021102, 2-(cinnamylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine, 2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine, BRD-K11696162-001-01-9, F1060-0001
| Molecular Formula | C19H19N3S2 |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 4.9578 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.10205 |
| Heavy Atoms | 24 |
| Complexity | 884.5133 |
Chemical Identifiers
| CAS Number | 385385-62-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=C(N=C3S2)SC/C=C/C4=CC=CC=C4)N |
Product Overview
IDI1_021102 (CAS 385385-62-6), with molecular formula C19H19N3S2 and molecular weight 353.10 g/mol. IUPAC: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of IDI1_021102
Property Insights of IDI1_021102
The XLogP value of 4.9578 indicates that IDI1_021102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, IDI1_021102 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IDI1_021102 has 1 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 IDI1_021102?
The CAS number of IDI1_021102 is 385385-62-6.
What is the molecular formula of IDI1_021102?
The molecular formula of IDI1_021102 is C19H19N3S2.
What is the molecular weight of IDI1_021102?
The molecular weight of IDI1_021102 is 353.10 g/mol.
Where can I buy IDI1_021102?
You can request a quote for IDI1_021102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_021102?
Yes, KEHONG BIO provides custom synthesis services for IDI1_021102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.