3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride
TL;DR: 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride (CAS 89164-72-7) is a chemical compound with molecular formula C31H39ClN2O11 and molecular weight 650.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,2-dihydroxyethyl)-6,8,11-trihydroxy-10-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one;hydrochloride
Also Known As: 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride, 5(8H)-Naphthacenone, 8-(1,2-dihydroxyethyl)-7,9,19,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, monohydrochloride, 8-(1,2-Dihydroxyethyl)-7,9,19,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5(8H)-naphthacenone monohydrochloride, 11-amino-3-(1,2-dihydroxyethyl)-3,6-dihydroxy-1-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride, 11-Amino-3-(1,2-dihydroxyethyl)-3,6-dihydroxy-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-morpholin-4-ylhexopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C31H39ClN2O11 |
|---|---|
| Molecular Weight | 650.22 g/mol |
| LogP | 0.77357 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 650.22424 |
| Heavy Atoms | 45 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 89164-72-7 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(CO)O)O)N6CCOCC6)O.Cl |
| InChIKey | LKSWYPNHRHHJLO-UHFFFAOYSA-N |
Product Overview
3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride (CAS 89164-72-7), with molecular formula C31H39ClN2O11 and molecular weight 650.22 g/mol. IUPAC: 8-(1,2-dihydroxyethyl)-6,8,11-trihydroxy-10-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one;hydrochloride.
Chemical Property Profile of 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride
Property Insights of 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride
The XLogP value of 0.77357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride. The TPSA of 202.0 Ų indicates high polarity, suggesting 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride?
The CAS number of 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride is 89164-72-7.
What is the molecular formula of 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride?
The molecular formula of 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride is C31H39ClN2O11.
What is the molecular weight of 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride?
The molecular weight of 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride is 650.22 g/mol.
Where can I buy 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride?
You can request a quote for 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3'-deamino-3'-(4-morpholinyl)-12-imino-13-dihydroadriamycin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.