ChemDiv2_003555
TL;DR: ChemDiv2_003555 (CAS 331234-34-5) is a chemical compound with molecular formula C19H16N4OS2 and molecular weight 380.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-phenyl-3-prop-2-enylsulfanyl-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-8-one
Also Known As: ChemDiv2_003555, IDI1_002270, BAS 00338250, 1-(allylthio)-4-phenyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one, 4-phenyl-1-(prop-2-en-1-ylsulfanyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C19H16N4OS2 |
|---|---|
| Molecular Weight | 380.08 g/mol |
| LogP | 3.8617 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.07657 |
| Heavy Atoms | 26 |
| Complexity | 1203.4515 |
Chemical Identifiers
| CAS Number | 331234-34-5 |
|---|---|
| SMILES | C=CCSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
ChemDiv2_003555 (CAS 331234-34-5), with molecular formula C19H16N4OS2 and molecular weight 380.08 g/mol. IUPAC: 7-phenyl-3-prop-2-enylsulfanyl-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-8-one.
Chemical Property Profile of ChemDiv2_003555
Property Insights of ChemDiv2_003555
The XLogP value of 3.8617 indicates that ChemDiv2_003555 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, ChemDiv2_003555 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_003555 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 ChemDiv2_003555?
The CAS number of ChemDiv2_003555 is 331234-34-5.
What is the molecular formula of ChemDiv2_003555?
The molecular formula of ChemDiv2_003555 is C19H16N4OS2.
What is the molecular weight of ChemDiv2_003555?
The molecular weight of ChemDiv2_003555 is 380.08 g/mol.
Where can I buy ChemDiv2_003555?
You can request a quote for ChemDiv2_003555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003555?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.