BAS 00684830
TL;DR: BAS 00684830 (CAS 302939-17-9) is a chemical compound with molecular formula C13H14N4S and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-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: BAS 00684830, AF-399/33695037, 3-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 5-Ethyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene, 3-Ethyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.0939 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 302939-17-9 |
|---|---|
| SMILES | CCC1=NN=C2N1C=NC3=C2C4=C(S3)CCCC4 |
| InChIKey | NMFZFONTYZDIBS-UHFFFAOYSA-N |
Product Overview
BAS 00684830 (CAS 302939-17-9), with molecular formula C13H14N4S and molecular weight 258.09 g/mol. IUPAC: 5-ethyl-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 BAS 00684830
Property Insights of BAS 00684830
The XLogP value of 3.9 indicates that BAS 00684830 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00684830. Following Lipinski's Rule of Five, BAS 00684830 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 BAS 00684830?
The CAS number of BAS 00684830 is 302939-17-9.
What is the molecular formula of BAS 00684830?
The molecular formula of BAS 00684830 is C13H14N4S.
What is the molecular weight of BAS 00684830?
The molecular weight of BAS 00684830 is 258.09 g/mol.
Where can I buy BAS 00684830?
You can request a quote for BAS 00684830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00684830?
Yes, KEHONG BIO provides custom synthesis services for BAS 00684830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.