C35H44N2O11.ClH
TL;DR: C35H44N2O11.ClH (CAS 58161-66-3) is a chemical compound with molecular formula C35H45ClN2O11 and molecular weight 704.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-(dipropylamino)acetamide;hydrochloride
Also Known As: 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(((dipropylamino)acetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, monohydrochloride, (8S-cis)-, 8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(((dipropylamino)acetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione monohydrochloride, (8S-cis)-, 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[[(dipropylamino)acetyl]amino]-.alpha.-L-lyxo-hexopyranosyl]oxy]-, monohydrochloride, (8S-cis)-, N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-(dipropylamino)acetamide hydrochloride
| Molecular Formula | C35H45ClN2O11 |
|---|---|
| Molecular Weight | 704.27 g/mol |
| LogP | 2.7302 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 704.2712 |
| Heavy Atoms | 49 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 58161-66-3 |
|---|---|
| SMILES | CCCN(CCC)CC(=O)N[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O.Cl |
| InChIKey | AOTOTQJQLKTBST-BUUAQDLPSA-N |
Product Overview
C35H44N2O11.ClH (CAS 58161-66-3), with molecular formula C35H45ClN2O11 and molecular weight 704.27 g/mol. IUPAC: N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-(dipropylamino)acetamide;hydrochloride.
Chemical Property Profile of C35H44N2O11.ClH
Property Insights of C35H44N2O11.ClH
The XLogP value of 2.7302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C35H44N2O11.ClH. The TPSA of 192.0 Ų indicates high polarity, suggesting C35H44N2O11.ClH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C35H44N2O11.ClH has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C35H44N2O11.ClH?
The CAS number of C35H44N2O11.ClH is 58161-66-3.
What is the molecular formula of C35H44N2O11.ClH?
The molecular formula of C35H44N2O11.ClH is C35H45ClN2O11.
What is the molecular weight of C35H44N2O11.ClH?
The molecular weight of C35H44N2O11.ClH is 704.27 g/mol.
Where can I buy C35H44N2O11.ClH?
You can request a quote for C35H44N2O11.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C35H44N2O11.ClH?
Yes, KEHONG BIO provides custom synthesis services for C35H44N2O11.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.