BAS 11177807
TL;DR: BAS 11177807 (CAS 876887-58-0) is a chemical compound with molecular formula C22H21N3O2S2 and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenyl)-8-(4-methylsulfanylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: BAS 11177807, 3-(2-methoxyphenyl)-8-(4-methylsulfanylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(2-methoxyphenyl)-8-(4-(methylthio)phenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(2-methoxyphenyl)-8-(4-methylsulfanylphenyl)-6-oxidanylidene-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(2-METHOXYPHENYL)-8-[4-(METHYLSULFANYL)PHENYL]-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE
| Molecular Formula | C22H21N3O2S2 |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 4.63658 |
| Topological Polar Surface Area | 56.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.1075 |
| Heavy Atoms | 29 |
| Complexity | 997.8621 |
Chemical Identifiers
| CAS Number | 876887-58-0 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)SC |
Product Overview
BAS 11177807 (CAS 876887-58-0), with molecular formula C22H21N3O2S2 and molecular weight 423.11 g/mol. IUPAC: 3-(2-methoxyphenyl)-8-(4-methylsulfanylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of BAS 11177807
Property Insights of BAS 11177807
The XLogP value of 4.63658 indicates that BAS 11177807 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 11177807 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11177807 has 0 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 11177807?
The CAS number of BAS 11177807 is 876887-58-0.
What is the molecular formula of BAS 11177807?
The molecular formula of BAS 11177807 is C22H21N3O2S2.
What is the molecular weight of BAS 11177807?
The molecular weight of BAS 11177807 is 423.11 g/mol.
Where can I buy BAS 11177807?
You can request a quote for BAS 11177807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11177807?
Yes, KEHONG BIO provides custom synthesis services for BAS 11177807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.