3,3'-二氯-N-甲基二丙胺苦味酸盐
TL;DR: 3,3'-二氯-N-甲基二丙胺苦味酸盐 (CAS 34753-29-2) is a chemical compound with molecular formula C13H18Cl2N4O7 and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-二氯-N-甲基二丙胺苦味酸盐
bis(3-chloropropyl)-methylazanium;2,4,6-trinitrophenolate
Also Known As: N-Methyl-3,3'-dichlorodipropylamine picrate, 3,3'-Dichloro-N-methyl-dipropylamine picrate, DIPROPYLAMINE, 3,3'-DICHLORO-N-METHYL-, PICRATE, bis(3-chloropropyl)-methylazanium; 2,4,6-trinitrophenolate, 3-Chloro-N-(3-chloropropyl)-N-methylpropan-1-aminium 2,4,6-trinitrophenolate
| Molecular Formula | C13H18Cl2N4O7 |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 1.24 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.05527 |
| Heavy Atoms | 26 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 34753-29-2 |
|---|---|
| SMILES | C[NH+](CCCCl)CCCCl.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YHGFQOOQGGTJJS-UHFFFAOYSA-N |
Product Overview
3,3'-二氯-N-甲基二丙胺苦味酸盐 (CAS 34753-29-2), with molecular formula C13H18Cl2N4O7 and molecular weight 412.06 g/mol. IUPAC: bis(3-chloropropyl)-methylazanium;2,4,6-trinitrophenolate.
Chemical Property Profile of 3,3'-二氯-N-甲基二丙胺苦味酸盐
Property Insights of 3,3'-二氯-N-甲基二丙胺苦味酸盐
The XLogP value of 1.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-二氯-N-甲基二丙胺苦味酸盐. The TPSA of 165.0 Ų indicates high polarity, suggesting 3,3'-二氯-N-甲基二丙胺苦味酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-二氯-N-甲基二丙胺苦味酸盐 has 1 hydrogen bond donor(s) and 7 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 3,3'-二氯-N-甲基二丙胺苦味酸盐?
The CAS number of 3,3'-二氯-N-甲基二丙胺苦味酸盐 is 34753-29-2.
What is the molecular formula of 3,3'-二氯-N-甲基二丙胺苦味酸盐?
The molecular formula of 3,3'-二氯-N-甲基二丙胺苦味酸盐 is C13H18Cl2N4O7.
What is the molecular weight of 3,3'-二氯-N-甲基二丙胺苦味酸盐?
The molecular weight of 3,3'-二氯-N-甲基二丙胺苦味酸盐 is 412.06 g/mol.
Where can I buy 3,3'-二氯-N-甲基二丙胺苦味酸盐?
You can request a quote for 3,3'-二氯-N-甲基二丙胺苦味酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-二氯-N-甲基二丙胺苦味酸盐?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-二氯-N-甲基二丙胺苦味酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.