BAS 10136121
TL;DR: BAS 10136121 (CAS 876715-05-8) is a chemical compound with molecular formula C22H18N4O2S2 and molecular weight 434.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(furan-2-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: BAS 10136121, F3007-0381, 10-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-11-[(furan-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-3-(furan-2-ylmethyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(furan-2-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C22H18N4O2S2 |
|---|---|
| Molecular Weight | 434.09 g/mol |
| LogP | 4.7566 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.08713 |
| Heavy Atoms | 30 |
| Complexity | 1396.1792 |
Chemical Identifiers
| CAS Number | 876715-05-8 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)CC6=CC=CO6 |
Product Overview
BAS 10136121 (CAS 876715-05-8), with molecular formula C22H18N4O2S2 and molecular weight 434.09 g/mol. IUPAC: 10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(furan-2-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of BAS 10136121
Property Insights of BAS 10136121
The XLogP value of 4.7566 indicates that BAS 10136121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10136121. Following Lipinski's Rule of Five, BAS 10136121 has 1 hydrogen bond donor(s) and 6 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 10136121?
The CAS number of BAS 10136121 is 876715-05-8.
What is the molecular formula of BAS 10136121?
The molecular formula of BAS 10136121 is C22H18N4O2S2.
What is the molecular weight of BAS 10136121?
The molecular weight of BAS 10136121 is 434.09 g/mol.
Where can I buy BAS 10136121?
You can request a quote for BAS 10136121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10136121?
Yes, KEHONG BIO provides custom synthesis services for BAS 10136121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.