N-Isopropyldaunorubicin hydrochloride
TL;DR: N-Isopropyldaunorubicin hydrochloride (CAS 70844-07-4) is a chemical compound with molecular formula C30H36ClNO10 and molecular weight 605.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(propan-2-ylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: N-Isopropyldaunorubicin HCl, N-Isopropyldaunorubicin hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-((1-methylethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-, 9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(propan-2, 9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(propan-2-ylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
| Molecular Formula | C30H36ClNO10 |
|---|---|
| Molecular Weight | 605.20 g/mol |
| LogP | 2.49 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 605.20276 |
| Heavy Atoms | 42 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 70844-07-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(C)C)O.Cl |
| InChIKey | IADHBFAQBJCNGN-UHFFFAOYSA-N |
Product Overview
N-Isopropyldaunorubicin hydrochloride (CAS 70844-07-4), with molecular formula C30H36ClNO10 and molecular weight 605.20 g/mol. IUPAC: 9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(propan-2-ylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of N-Isopropyldaunorubicin hydrochloride
Property Insights of N-Isopropyldaunorubicin hydrochloride
The XLogP value of 2.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropyldaunorubicin hydrochloride. The TPSA of 172.0 Ų indicates high polarity, suggesting N-Isopropyldaunorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Isopropyldaunorubicin hydrochloride has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Isopropyldaunorubicin hydrochloride?
The CAS number of N-Isopropyldaunorubicin hydrochloride is 70844-07-4.
What is the molecular formula of N-Isopropyldaunorubicin hydrochloride?
The molecular formula of N-Isopropyldaunorubicin hydrochloride is C30H36ClNO10.
What is the molecular weight of N-Isopropyldaunorubicin hydrochloride?
The molecular weight of N-Isopropyldaunorubicin hydrochloride is 605.20 g/mol.
Where can I buy N-Isopropyldaunorubicin hydrochloride?
You can request a quote for N-Isopropyldaunorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isopropyldaunorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropyldaunorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.