BAS 11177875
TL;DR: BAS 11177875 (CAS 876888-33-4) is a chemical compound with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: BAS 11177875, 3-(4-methoxyphenyl)-6-oxo-8-phenyl-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(4-methoxyphenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(4-METHOXYPHENYL)-6-OXO-8-PHENYL-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE, 3-(4-methoxyphenyl)-6-oxo-8-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
| Molecular Formula | C21H19N3O2S |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 3.91468 |
| Topological Polar Surface Area | 56.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.1198 |
| Heavy Atoms | 27 |
| Complexity | 918.69293 |
Chemical Identifiers
| CAS Number | 876888-33-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CC=C4 |
Product Overview
BAS 11177875 (CAS 876888-33-4), with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol. IUPAC: 3-(4-methoxyphenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of BAS 11177875
Property Insights of BAS 11177875
The XLogP value of 3.91468 indicates that BAS 11177875 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.57 Ų, BAS 11177875 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11177875 has 0 hydrogen bond donor(s) and 5 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 11177875?
The CAS number of BAS 11177875 is 876888-33-4.
What is the molecular formula of BAS 11177875?
The molecular formula of BAS 11177875 is C21H19N3O2S.
What is the molecular weight of BAS 11177875?
The molecular weight of BAS 11177875 is 377.12 g/mol.
Where can I buy BAS 11177875?
You can request a quote for BAS 11177875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11177875?
Yes, KEHONG BIO provides custom synthesis services for BAS 11177875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.