ChemDiv3_001141
TL;DR: ChemDiv3_001141 (CAS 325831-90-1) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(phenoxymethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: ChemDiv3_001141, IDI1_020107, BAS 01024199, BRD-K87869540-001-01-4, 2-(phenoxymethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C18H16N4OS |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.1045 |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 325831-90-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)COC5=CC=CC=C5 |
| InChIKey | RSXDSPYRZJKNQW-UHFFFAOYSA-N |
Product Overview
ChemDiv3_001141 (CAS 325831-90-1), with molecular formula C18H16N4OS and molecular weight 336.10 g/mol. IUPAC: 4-(phenoxymethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of ChemDiv3_001141
Property Insights of ChemDiv3_001141
The XLogP value of 4.2 indicates that ChemDiv3_001141 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001141. Following Lipinski's Rule of Five, ChemDiv3_001141 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 ChemDiv3_001141?
The CAS number of ChemDiv3_001141 is 325831-90-1.
What is the molecular formula of ChemDiv3_001141?
The molecular formula of ChemDiv3_001141 is C18H16N4OS.
What is the molecular weight of ChemDiv3_001141?
The molecular weight of ChemDiv3_001141 is 336.10 g/mol.
Where can I buy ChemDiv3_001141?
You can request a quote for ChemDiv3_001141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001141?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.