ChemDiv3_001684
TL;DR: ChemDiv3_001684 (CAS 314244-81-0) is a chemical compound with molecular formula C15H15N3S2 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-thiophen-2-ylethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
Also Known As: ChemDiv3_001684, SDCCGSBI-0660216.P001, IDI1_020650, AF-399/13907015, BRD-K98258585-001-01-3
| Molecular Formula | C15H15N3S2 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.07074 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 314244-81-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=NC=NC(=C23)NCCC4=CC=CS4 |
| InChIKey | REEVVLOFPWRATD-UHFFFAOYSA-N |
Product Overview
ChemDiv3_001684 (CAS 314244-81-0), with molecular formula C15H15N3S2 and molecular weight 301.07 g/mol. IUPAC: N-(2-thiophen-2-ylethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.
Chemical Property Profile of ChemDiv3_001684
Property Insights of ChemDiv3_001684
The XLogP value of 4.2 indicates that ChemDiv3_001684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001684. Following Lipinski's Rule of Five, ChemDiv3_001684 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 ChemDiv3_001684?
The CAS number of ChemDiv3_001684 is 314244-81-0.
What is the molecular formula of ChemDiv3_001684?
The molecular formula of ChemDiv3_001684 is C15H15N3S2.
What is the molecular weight of ChemDiv3_001684?
The molecular weight of ChemDiv3_001684 is 301.07 g/mol.
Where can I buy ChemDiv3_001684?
You can request a quote for ChemDiv3_001684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001684?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.