ChemDiv3_001185
TL;DR: ChemDiv3_001185 (CAS 333775-29-4) is a chemical compound with molecular formula C16H13N5S and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyridin-3-yl-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_001185, IDI1_020151, BAS 01024223, AB00096886-01, BRD-K18804757-001-01-3
| Molecular Formula | C16H13N5S |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.08917 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 333775-29-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CN=CC=C5 |
| InChIKey | MXGGLBCJJCXOCT-UHFFFAOYSA-N |
Product Overview
ChemDiv3_001185 (CAS 333775-29-4), with molecular formula C16H13N5S and molecular weight 307.09 g/mol. IUPAC: 4-pyridin-3-yl-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_001185
Property Insights of ChemDiv3_001185
The XLogP value of 3.3 indicates that ChemDiv3_001185 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001185. Following Lipinski's Rule of Five, ChemDiv3_001185 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_001185?
The CAS number of ChemDiv3_001185 is 333775-29-4.
What is the molecular formula of ChemDiv3_001185?
The molecular formula of ChemDiv3_001185 is C16H13N5S.
What is the molecular weight of ChemDiv3_001185?
The molecular weight of ChemDiv3_001185 is 307.09 g/mol.
Where can I buy ChemDiv3_001185?
You can request a quote for ChemDiv3_001185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001185?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.