3'-Piperidinoadriamycin HCl
TL;DR: 3'-Piperidinoadriamycin HCl (CAS 70844-11-0) is a chemical compound with molecular formula C32H38ClNO11 and molecular weight 647.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-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'-Piperidinoadriamycin HCl, 3'-Piperidinoadriamycin hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-, (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-piperidin-1-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
| Molecular Formula | C32H38ClNO11 |
|---|---|
| Molecular Weight | 647.21 g/mol |
| LogP | 1.9503 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 647.2133 |
| Heavy Atoms | 45 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 70844-11-0 |
|---|---|
| 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)N6CCCCC6)O.Cl |
| InChIKey | YWLKYNURZNKTLZ-NLKZARJJSA-N |
Product Overview
3'-Piperidinoadriamycin HCl (CAS 70844-11-0), with molecular formula C32H38ClNO11 and molecular weight 647.21 g/mol. IUPAC: (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-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'-Piperidinoadriamycin HCl
Property Insights of 3'-Piperidinoadriamycin HCl
The XLogP value of 1.9503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Piperidinoadriamycin HCl. The TPSA of 183.0 Ų indicates high polarity, suggesting 3'-Piperidinoadriamycin HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Piperidinoadriamycin HCl 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 3'-Piperidinoadriamycin HCl?
The CAS number of 3'-Piperidinoadriamycin HCl is 70844-11-0.
What is the molecular formula of 3'-Piperidinoadriamycin HCl?
The molecular formula of 3'-Piperidinoadriamycin HCl is C32H38ClNO11.
What is the molecular weight of 3'-Piperidinoadriamycin HCl?
The molecular weight of 3'-Piperidinoadriamycin HCl is 647.21 g/mol.
Where can I buy 3'-Piperidinoadriamycin HCl?
You can request a quote for 3'-Piperidinoadriamycin HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Piperidinoadriamycin HCl?
Yes, KEHONG BIO provides custom synthesis services for 3'-Piperidinoadriamycin HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.