ChemDiv2_003891
TL;DR: ChemDiv2_003891 (CAS 373375-14-5) is a chemical compound with molecular formula C18H22N4OS and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-N-(2-methylpropyl)-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-amine
Also Known As: ChemDiv2_003891, IDI1_002606, BAS 04056918, AB00111887-01, AJ-292/41083275
| Molecular Formula | C18H22N4OS |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.15143 |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 373375-14-5 |
|---|---|
| SMILES | CC(C)CNC1=NC=NC2=C1SC3=C2C=C4COC(CC4=N3)(C)C |
| InChIKey | IZLHYAQTDUKBEK-UHFFFAOYSA-N |
Product Overview
ChemDiv2_003891 (CAS 373375-14-5), with molecular formula C18H22N4OS and molecular weight 342.15 g/mol. IUPAC: 5,5-dimethyl-N-(2-methylpropyl)-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-amine.
Chemical Property Profile of ChemDiv2_003891
Property Insights of ChemDiv2_003891
The XLogP value of 3.9 indicates that ChemDiv2_003891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003891. Following Lipinski's Rule of Five, ChemDiv2_003891 has 1 hydrogen bond donor(s) and 6 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 ChemDiv2_003891?
The CAS number of ChemDiv2_003891 is 373375-14-5.
What is the molecular formula of ChemDiv2_003891?
The molecular formula of ChemDiv2_003891 is C18H22N4OS.
What is the molecular weight of ChemDiv2_003891?
The molecular weight of ChemDiv2_003891 is 342.15 g/mol.
Where can I buy ChemDiv2_003891?
You can request a quote for ChemDiv2_003891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003891?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.