Berubicin Hydrochloride
TL;DR: Berubicin Hydrochloride (CAS 677017-23-1) is a chemical compound with molecular formula C34H36ClNO11 and molecular weight 669.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: Berubicin HCl, Berubicin hydrochloride, Berubicin?, Berubicin (hydrochloride), RTA 744
| Molecular Formula | C34H36ClNO11 |
|---|---|
| Molecular Weight | 669.20 g/mol |
| LogP | 2.6476 |
| Topological Polar Surface Area | 195.07 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 669.1977 |
| Heavy Atoms | 47 |
| Complexity | 1702.0599 |
Chemical Identifiers
| CAS Number | 677017-23-1 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OCC6=CC=CC=C6.Cl |
Product Overview
Berubicin Hydrochloride (CAS 677017-23-1), with molecular formula C34H36ClNO11 and molecular weight 669.20 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of Berubicin Hydrochloride
Property Insights of Berubicin Hydrochloride
The XLogP value of 2.6476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Berubicin Hydrochloride. The TPSA of 195.07 Ų indicates high polarity, suggesting Berubicin Hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Berubicin Hydrochloride 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 Berubicin Hydrochloride?
The CAS number of Berubicin Hydrochloride is 677017-23-1.
What is the molecular formula of Berubicin Hydrochloride?
The molecular formula of Berubicin Hydrochloride is C34H36ClNO11.
What is the molecular weight of Berubicin Hydrochloride?
The molecular weight of Berubicin Hydrochloride is 669.20 g/mol.
Where can I buy Berubicin Hydrochloride?
You can request a quote for Berubicin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Berubicin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Berubicin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.