4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺
TL;DR: 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺 (CAS 18773-54-1) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺
4-methyl-N,N-bis(prop-2-ynyl)benzenesulfonamide
Also Known As: 4-Methyl-N,N-di(prop-2-yn-1-yl)benzenesulfonamide, Tosyldipropargylamine, N-Tosyldipropargylamine, N,N-Dipropargyltosylamide, 4-methyl-N,N-bis(prop-2-ynyl)benzenesulfonamide
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 18773-54-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC#C)CC#C |
| InChIKey | NNPRNGRENISUMK-UHFFFAOYSA-N |
Product Overview
4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺 (CAS 18773-54-1), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 4-methyl-N,N-bis(prop-2-ynyl)benzenesulfonamide.
Chemical Property Profile of 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺
Property Insights of 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺. With a topological polar surface area (TPSA) of 45.8 Ų, 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺 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 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺?
The CAS number of 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺 is 18773-54-1.
What is the molecular formula of 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺?
The molecular formula of 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺 is C13H13NO2S.
What is the molecular weight of 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺?
The molecular weight of 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺 is 247.07 g/mol.
Where can I buy 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺?
You can request a quote for 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-N,N-二丙-2-炔-1-基苯磺酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.