BAS 11177091
TL;DR: BAS 11177091 (CAS 799817-85-9) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: BAS 11177091, 2-(((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, F1362-0029, 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 2.63048 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 732.8652 |
Chemical Identifiers
| CAS Number | 799817-85-9 |
|---|---|
| SMILES | CC1(OC(=O)C(=CNC2=C(C3=C(S2)CCCC3)C#N)C(=O)O1)C |
Product Overview
BAS 11177091 (CAS 799817-85-9), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of BAS 11177091
Property Insights of BAS 11177091
The XLogP value of 2.63048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11177091. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11177091. Following Lipinski's Rule of Five, BAS 11177091 has 1 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 11177091?
The CAS number of BAS 11177091 is 799817-85-9.
What is the molecular formula of BAS 11177091?
The molecular formula of BAS 11177091 is C16H16N2O4S.
What is the molecular weight of BAS 11177091?
The molecular weight of BAS 11177091 is 332.08 g/mol.
Where can I buy BAS 11177091?
You can request a quote for BAS 11177091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11177091?
Yes, KEHONG BIO provides custom synthesis services for BAS 11177091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.