BAS 10121874
TL;DR: BAS 10121874 (CAS 876710-27-9) is a chemical compound with molecular formula C12H12N4S and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene
Also Known As: BAS 10121874, 9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 8,9,10,11-Tetrahydro-7H-6-thia-1,3,3a,5-tetraaza-cyclohepta[b]-as-indacene
| Molecular Formula | C12H12N4S |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.6079 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.07826 |
| Heavy Atoms | 17 |
| Complexity | 696.978 |
Chemical Identifiers
| CAS Number | 876710-27-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C4=NC=NN4C=N3 |
Product Overview
BAS 10121874 (CAS 876710-27-9), with molecular formula C12H12N4S and molecular weight 244.08 g/mol. IUPAC: 9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene.
Chemical Property Profile of BAS 10121874
Property Insights of BAS 10121874
The XLogP value of 2.6079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10121874. With a topological polar surface area (TPSA) of 43.08 Ų, BAS 10121874 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 10121874 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 10121874?
The CAS number of BAS 10121874 is 876710-27-9.
What is the molecular formula of BAS 10121874?
The molecular formula of BAS 10121874 is C12H12N4S.
What is the molecular weight of BAS 10121874?
The molecular weight of BAS 10121874 is 244.08 g/mol.
Where can I buy BAS 10121874?
You can request a quote for BAS 10121874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10121874?
Yes, KEHONG BIO provides custom synthesis services for BAS 10121874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.