3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride
TL;DR: 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride (CAS 74985-07-2) is a chemical compound with molecular formula C32H38ClNO10 and molecular weight 631.22 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-piperidin-1-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride, 8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride, (8S-cis)-, 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride, (8S-cis)-, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(piperidin-1-yl)hexopyranoside--hydrogen chloride (1/1), 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-piperidin-1-ylhexopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C32H38ClNO10 |
|---|---|
| Molecular Weight | 631.22 g/mol |
| LogP | 2.9779 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 631.21844 |
| Heavy Atoms | 44 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 74985-07-2 |
|---|---|
| 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)N6CCCCC6)O.Cl |
| InChIKey | CMBPROLIBKLOMO-UHFFFAOYSA-N |
Product Overview
3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride (CAS 74985-07-2), with molecular formula C32H38ClNO10 and molecular weight 631.22 g/mol. IUPAC: 9-acetyl-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-piperidin-1-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride
Property Insights of 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride
The XLogP value of 2.9779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride. The TPSA of 163.0 Ų indicates high polarity, suggesting 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride has 5 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 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride?
The CAS number of 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride is 74985-07-2.
What is the molecular formula of 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride?
The molecular formula of 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride is C32H38ClNO10.
What is the molecular weight of 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride?
The molecular weight of 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride is 631.22 g/mol.
Where can I buy 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride?
You can request a quote for 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3'-(1-Piperidinyl)-3'-deaminodaunorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.