ChemDiv1_023497
TL;DR: ChemDiv1_023497 (CAS 337496-94-3) is a chemical compound with molecular formula C18H25N5O4 and molecular weight 375.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)-N,N-dimethylaniline
Also Known As: ChemDiv1_023497, BAS 01322364, 4-((1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantan-2-yl)-N,N-dimethylaniline, 4-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-N,N-dimethylaniline, N-[4-(6,6-DIMETHYL-5,7-DINITRO-1,3-DIAZATRICYCLO[3.3.1.1~3,7~]DEC-2-YL)PHENYL]-N,N-DIMETHYLAMINE
| Molecular Formula | C18H25N5O4 |
|---|---|
| Molecular Weight | 375.19 g/mol |
| LogP | 1.4532 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.19064 |
| Heavy Atoms | 27 |
| Complexity | 754.4749 |
Chemical Identifiers
| CAS Number | 337496-94-3 |
|---|---|
| SMILES | CC1(C2(CN3CC1(CN(C2)C3C4=CC=C(C=C4)N(C)C)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
ChemDiv1_023497 (CAS 337496-94-3), with molecular formula C18H25N5O4 and molecular weight 375.19 g/mol. IUPAC: 4-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)-N,N-dimethylaniline.
Chemical Property Profile of ChemDiv1_023497
Property Insights of ChemDiv1_023497
The XLogP value of 1.4532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023497. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023497. Following Lipinski's Rule of Five, ChemDiv1_023497 has 0 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 ChemDiv1_023497?
The CAS number of ChemDiv1_023497 is 337496-94-3.
What is the molecular formula of ChemDiv1_023497?
The molecular formula of ChemDiv1_023497 is C18H25N5O4.
What is the molecular weight of ChemDiv1_023497?
The molecular weight of ChemDiv1_023497 is 375.19 g/mol.
Where can I buy ChemDiv1_023497?
You can request a quote for ChemDiv1_023497 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023497?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023497 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.