C 1005
TL;DR: C 1005 (CAS 77280-89-8) is a chemical compound with molecular formula C20H26Cl2N4O5 and molecular weight 472.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-2-[3-[(1-nitroacridin-9-yl)amino]propylamino]propane-1,3-diol;dihydrochloride
Also Known As: 1-Nitro-9-(trihydroxymethyl)-methylaminopropylamino-acridine dihydrochloride, 1,3-propanediol,2-2-((3-( -,dihydrochloride, 1,3-Propanediol,2- -2-((3-( -,dihydrochloride, 1,3-Propanediol, 2-(hydroxymethyl)-2-((3-((1-nitro-9-acridinyl)amino)propyl)amino)-, dihydrochloride, 1-Nitro-9-(trihydroxymethyl)-methylaminopropylamino-acridine dihyrochloride
| Molecular Formula | C20H26Cl2N4O5 |
|---|---|
| Molecular Weight | 472.13 g/mol |
| LogP | 2.2471 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.12802 |
| Heavy Atoms | 31 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 77280-89-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCNC(CO)(CO)CO.Cl.Cl |
| InChIKey | INRPLYIIYHUUCS-UHFFFAOYSA-N |
Product Overview
C 1005 (CAS 77280-89-8), with molecular formula C20H26Cl2N4O5 and molecular weight 472.13 g/mol. IUPAC: 2-(hydroxymethyl)-2-[3-[(1-nitroacridin-9-yl)amino]propylamino]propane-1,3-diol;dihydrochloride.
Chemical Property Profile of C 1005
Property Insights of C 1005
The XLogP value of 2.2471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C 1005. The TPSA of 143.0 Ų indicates high polarity, suggesting C 1005 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C 1005 has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C 1005?
The CAS number of C 1005 is 77280-89-8.
What is the molecular formula of C 1005?
The molecular formula of C 1005 is C20H26Cl2N4O5.
What is the molecular weight of C 1005?
The molecular weight of C 1005 is 472.13 g/mol.
Where can I buy C 1005?
You can request a quote for C 1005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C 1005?
Yes, KEHONG BIO provides custom synthesis services for C 1005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.