N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺
TL;DR: N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺 (CAS 93565-00-5) is a chemical compound with molecular formula C9H20Cl2N2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺
N'-buta-2,3-dienyl-N-methylbutane-1,4-diamine;dihydrochloride
Also Known As: Mdl 72521, Mdl 72.521, 2,4,10-Trioxaadamantan-3-carbonylchlorid, N-Methyl-N-(2,3-butadienyl)-1,4-butanediamine, 1,4-Butanediamine, N-2,3-butadienyl-N'-methyl-, dihydrochloride
| Molecular Formula | C9H20Cl2N2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 1.7603 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.10036 |
| Heavy Atoms | 13 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 93565-00-5 |
|---|---|
| SMILES | CNCCCCNCC=C=C.Cl.Cl |
| InChIKey | AFUWPFMHNLYOPB-UHFFFAOYSA-N |
Product Overview
N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺 (CAS 93565-00-5), with molecular formula C9H20Cl2N2 and molecular weight 226.10 g/mol. IUPAC: N'-buta-2,3-dienyl-N-methylbutane-1,4-diamine;dihydrochloride.
Chemical Property Profile of N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺
Property Insights of N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺
The XLogP value of 1.7603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺. With a topological polar surface area (TPSA) of 24.1 Ų, N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺 has 4 hydrogen bond donor(s) and 2 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 N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺?
The CAS number of N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺 is 93565-00-5.
What is the molecular formula of N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺?
The molecular formula of N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺 is C9H20Cl2N2.
What is the molecular weight of N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺?
The molecular weight of N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺 is 226.10 g/mol.
Where can I buy N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺?
You can request a quote for N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺?
Yes, KEHONG BIO provides custom synthesis services for N-甲基-N-(2,3-丁二烯基)-1,4-丁二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.