BAS 03754511
TL;DR: BAS 03754511 (CAS 442571-04-2) is a chemical compound with molecular formula C17H20N4S and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyclohexyl-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 03754511, SDCCGSBI-0658278.P001, 3-cyclohexyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, AP-906/41027449, 5-cyclohexyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
| Molecular Formula | C17H20N4S |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.14087 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 442571-04-2 |
|---|---|
| SMILES | C1CCC(CC1)C2=NN=C3N2C=NC4=C3C5=C(S4)CCCC5 |
| InChIKey | OMNRHXJOBBKGEL-UHFFFAOYSA-N |
Product Overview
BAS 03754511 (CAS 442571-04-2), with molecular formula C17H20N4S and molecular weight 312.14 g/mol. IUPAC: 5-cyclohexyl-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 03754511
Property Insights of BAS 03754511
The XLogP value of 5.3 indicates that BAS 03754511 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 03754511. Following Lipinski's Rule of Five, BAS 03754511 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 03754511?
The CAS number of BAS 03754511 is 442571-04-2.
What is the molecular formula of BAS 03754511?
The molecular formula of BAS 03754511 is C17H20N4S.
What is the molecular weight of BAS 03754511?
The molecular weight of BAS 03754511 is 312.14 g/mol.
Where can I buy BAS 03754511?
You can request a quote for BAS 03754511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03754511?
Yes, KEHONG BIO provides custom synthesis services for BAS 03754511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.