C29H27N3O6S
TL;DR: C29H27N3O6S (CAS 155857-47-9) is a chemical compound with molecular formula C29H27N3O6S and molecular weight 545.16205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-4-methoxy-7-[(12E)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-1,1-dioxo-2-(phenylhydrazinylidene)-1-benzothiophen-3-one
Also Known As: Benzo(b)thiophen-3-ol, 4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-2-(phenylazo)-, 1,1-dioxide
Technical Specifications
| Molecular Formula | C29H27N3O6S |
| Molecular Weight | 545.16205 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 545.16205 Da |
| Heavy Atoms | 39 |
| Complexity | 1270.0 |
| SMILES | CC1CCC2C3=C1C(C=N/C=C(\C3=CO2)/OC)C4=C5C(=C(C=C4)OC)C(=O)/C(=N\NC6=CC=CC=C6)/S5(=O)=O |
| InChIKey | HHAKKCICTIJRQG-YJJLXQCWSA-N |
Chemical Property Profile of C29H27N3O6S
Property Insights of C29H27N3O6S
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C29H27N3O6S. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H27N3O6S. Following Lipinski's Rule of Five, C29H27N3O6S has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C29H27N3O6S?
The CAS number of C29H27N3O6S is 155857-47-9.
What is the molecular formula of C29H27N3O6S?
The molecular formula of C29H27N3O6S is C29H27N3O6S.
What is the molecular weight of C29H27N3O6S?
The molecular weight of C29H27N3O6S is 545.16205 g/mol.
Where can I buy C29H27N3O6S?
You can request a quote for C29H27N3O6S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C29H27N3O6S?
Yes, CoreyChem provides custom synthesis services for C29H27N3O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.