BAS 12664114
TL;DR: BAS 12664114 (CAS 878414-73-4) is a chemical compound with molecular formula C16H15N7O2S and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
Also Known As: BAS 12664114, BRD-K40764399-001-01-5, 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide, 2-((4-amino-5-cyanopyrimidin-2-yl)thio)-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)acetamide, 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
| Molecular Formula | C16H15N7O2S |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 0.85168 |
| Topological Polar Surface Area | 131.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.1008 |
| Heavy Atoms | 26 |
| Complexity | 1110.2094 |
Chemical Identifiers
| CAS Number | 878414-73-4 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N)N(C1=O)C |
Product Overview
BAS 12664114 (CAS 878414-73-4), with molecular formula C16H15N7O2S and molecular weight 369.10 g/mol. IUPAC: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
Chemical Property Profile of BAS 12664114
Property Insights of BAS 12664114
The XLogP value of 0.85168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12664114. The TPSA of 131.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12664114. Following Lipinski's Rule of Five, BAS 12664114 has 2 hydrogen bond donor(s) and 7 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 12664114?
The CAS number of BAS 12664114 is 878414-73-4.
What is the molecular formula of BAS 12664114?
The molecular formula of BAS 12664114 is C16H15N7O2S.
What is the molecular weight of BAS 12664114?
The molecular weight of BAS 12664114 is 369.10 g/mol.
Where can I buy BAS 12664114?
You can request a quote for BAS 12664114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12664114?
Yes, KEHONG BIO provides custom synthesis services for BAS 12664114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.