![N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide structure](/static/products/7612/76129-14-1.webp)
N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
TL;DR: N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide (CAS 76129-14-1) is a chemical compound with molecular formula C28H29NO7S and molecular weight 523.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Also Known As: N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide, N-[1,2,3-Trimethoxy-9-oxo-10-(phenylmethanesulfonyl)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
| Molecular Formula | C28H29NO7S |
|---|---|
| Molecular Weight | 523.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.1665 |
| Heavy Atoms | 37 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 76129-14-1 |
|---|---|
| SMILES | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)S(=O)(=O)CC4=CC=CC=C4)OC)OC)OC |
| InChIKey | KSNDMXLJXRUZJT-UHFFFAOYSA-N |
Product Overview
N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide (CAS 76129-14-1), with molecular formula C28H29NO7S and molecular weight 523.17 g/mol. IUPAC: N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide.
Chemical Property Profile of N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Property Insights of N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide. Following Lipinski's Rule of Five, N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide?
The CAS number of N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide is 76129-14-1.
What is the molecular formula of N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide?
The molecular formula of N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide is C28H29NO7S.
What is the molecular weight of N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide?
The molecular weight of N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide is 523.17 g/mol.
Where can I buy N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide?
You can request a quote for N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(10-benzylsulfonyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.