RefChem:1072093
TL;DR: RefChem:1072093 (CAS 128948-02-7) is a chemical compound with molecular formula C33H42ClN3O9 and molecular weight 659.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[(E)-N-[(E)-hexan-2-ylideneamino]-C-methylcarbonimidoyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: Rubomycin 13-(hexylidene-2'')hydrazone hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-1-(((1-methylpentylidene)hydrazono)ethyl)-, monohydrochloride, (8S-cis)-, 10-(4-amino-5-hydroxy-6-methyl-oxan-2-yl)oxy-8-[N-(hexan-2-ylideneamin o)-C-methyl-carbonimidoyl]-6,, 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[(E)-N-[(E)-hexan-2-ylideneamino]-C-methylcarbonimidoyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride, 2-[[(1S)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetic acid
| Molecular Formula | C33H42ClN3O9 |
|---|---|
| Molecular Weight | 659.26 g/mol |
| LogP | 3.8887 |
| Topological Polar Surface Area | 193.49 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 659.261 |
| Heavy Atoms | 46 |
| Complexity | 1580.6757 |
Chemical Identifiers
| CAS Number | 128948-02-7 |
|---|---|
| SMILES | CCCC/C(=N/N=C(\C)/C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O)/C.Cl |
Product Overview
RefChem:1072093 (CAS 128948-02-7), with molecular formula C33H42ClN3O9 and molecular weight 659.26 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[(E)-N-[(E)-hexan-2-ylideneamino]-C-methylcarbonimidoyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of RefChem:1072093
Property Insights of RefChem:1072093
The XLogP value of 3.8887 indicates that RefChem:1072093 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.49 Ų indicates high polarity, suggesting RefChem:1072093 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1072093 has 5 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 RefChem:1072093?
The CAS number of RefChem:1072093 is 128948-02-7.
What is the molecular formula of RefChem:1072093?
The molecular formula of RefChem:1072093 is C33H42ClN3O9.
What is the molecular weight of RefChem:1072093?
The molecular weight of RefChem:1072093 is 659.26 g/mol.
Where can I buy RefChem:1072093?
You can request a quote for RefChem:1072093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072093?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.