BAS 11177870
TL;DR: BAS 11177870 (CAS 876888-23-2) is a chemical compound with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: BAS 11177870, 3-(3,4-dimethylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(3,4-dimethylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(3,4-DIMETHYLPHENYL)-8-(4-HYDROXY-3-METHOXYPHENYL)-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE, 3-(3,4-dimethylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
| Molecular Formula | C23H23N3O3S |
|---|---|
| Molecular Weight | 421.15 g/mol |
| LogP | 4.23712 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.14603 |
| Heavy Atoms | 30 |
| Complexity | 1089.5863 |
Chemical Identifiers
| CAS Number | 876888-23-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C=C4)O)OC)C |
Product Overview
BAS 11177870 (CAS 876888-23-2), with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol. IUPAC: 3-(3,4-dimethylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of BAS 11177870
Property Insights of BAS 11177870
The XLogP value of 4.23712 indicates that BAS 11177870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11177870. Following Lipinski's Rule of Five, BAS 11177870 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 11177870?
The CAS number of BAS 11177870 is 876888-23-2.
What is the molecular formula of BAS 11177870?
The molecular formula of BAS 11177870 is C23H23N3O3S.
What is the molecular weight of BAS 11177870?
The molecular weight of BAS 11177870 is 421.15 g/mol.
Where can I buy BAS 11177870?
You can request a quote for BAS 11177870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11177870?
Yes, KEHONG BIO provides custom synthesis services for BAS 11177870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.