ChemDiv3_003781
TL;DR: ChemDiv3_003781 (CAS 433696-91-4) is a chemical compound with molecular formula C14H16N4S and molecular weight 272.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: ChemDiv3_003781, BAS 03754507, IDI1_021691, BRD-K07933723-001-01-4, 3-propyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C14H16N4S |
|---|---|
| Molecular Weight | 272.11 g/mol |
| LogP | 3.1703 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.10956 |
| Heavy Atoms | 19 |
| Complexity | 755.567 |
Chemical Identifiers
| CAS Number | 433696-91-4 |
|---|---|
| SMILES | CCCC1=NN=C2N1C=NC3=C2C4=C(S3)CCCC4 |
Product Overview
ChemDiv3_003781 (CAS 433696-91-4), with molecular formula C14H16N4S and molecular weight 272.11 g/mol. IUPAC: 5-propyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of ChemDiv3_003781
Property Insights of ChemDiv3_003781
The XLogP value of 3.1703 indicates that ChemDiv3_003781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, ChemDiv3_003781 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003781 has 0 hydrogen bond donor(s) and 4 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_003781?
The CAS number of ChemDiv3_003781 is 433696-91-4.
What is the molecular formula of ChemDiv3_003781?
The molecular formula of ChemDiv3_003781 is C14H16N4S.
What is the molecular weight of ChemDiv3_003781?
The molecular weight of ChemDiv3_003781 is 272.11 g/mol.
Where can I buy ChemDiv3_003781?
You can request a quote for ChemDiv3_003781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003781?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.