Cambridge id 5787003
TL;DR: Cambridge id 5787003 (CAS 333775-44-3) 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-4-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: BAS 01024293, AB00096796-01, AE-848/36502029, BRD-K29913979-001-01-1, 2-(pyridin-4-yl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| 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 | 415.0 |
Chemical Identifiers
| CAS Number | 333775-44-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC=NC=C5 |
| InChIKey | WKJIPWNXTCWCKH-UHFFFAOYSA-N |
Product Overview
Cambridge id 5787003 (CAS 333775-44-3), with molecular formula C16H13N5S and molecular weight 307.09 g/mol. IUPAC: 4-pyridin-4-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 Cambridge id 5787003
Property Insights of Cambridge id 5787003
The XLogP value of 3.3 indicates that Cambridge id 5787003 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 Cambridge id 5787003. Following Lipinski's Rule of Five, Cambridge id 5787003 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 Cambridge id 5787003?
The CAS number of Cambridge id 5787003 is 333775-44-3.
What is the molecular formula of Cambridge id 5787003?
The molecular formula of Cambridge id 5787003 is C16H13N5S.
What is the molecular weight of Cambridge id 5787003?
The molecular weight of Cambridge id 5787003 is 307.09 g/mol.
Where can I buy Cambridge id 5787003?
You can request a quote for Cambridge id 5787003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5787003?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5787003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.