TAT-ENA-80bfd3e5-32
TL;DR: TAT-ENA-80bfd3e5-32 (CAS 731002-00-9) is a chemical compound with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: TAT-ENA-80bfd3e5-32, 2-chloro-1-[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one, 2-chloro-1-[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone, 2-chloro-1-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one, 2-chloro-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
| Molecular Formula | C17H18ClNO3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 3.36644 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.09753 |
| Heavy Atoms | 22 |
| Complexity | 707.92474 |
Chemical Identifiers
| CAS Number | 731002-00-9 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)CCl |
Product Overview
TAT-ENA-80bfd3e5-32 (CAS 731002-00-9), with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol. IUPAC: 2-chloro-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of TAT-ENA-80bfd3e5-32
Property Insights of TAT-ENA-80bfd3e5-32
The XLogP value of 3.36644 indicates that TAT-ENA-80bfd3e5-32 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, TAT-ENA-80bfd3e5-32 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TAT-ENA-80bfd3e5-32 has 0 hydrogen bond donor(s) and 3 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 TAT-ENA-80bfd3e5-32?
The CAS number of TAT-ENA-80bfd3e5-32 is 731002-00-9.
What is the molecular formula of TAT-ENA-80bfd3e5-32?
The molecular formula of TAT-ENA-80bfd3e5-32 is C17H18ClNO3.
What is the molecular weight of TAT-ENA-80bfd3e5-32?
The molecular weight of TAT-ENA-80bfd3e5-32 is 319.10 g/mol.
Where can I buy TAT-ENA-80bfd3e5-32?
You can request a quote for TAT-ENA-80bfd3e5-32 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TAT-ENA-80bfd3e5-32?
Yes, KEHONG BIO provides custom synthesis services for TAT-ENA-80bfd3e5-32 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.