5-Iminodoxorubicin
TL;DR: 5-Iminodoxorubicin (CAS 77331-69-2) is a chemical compound with molecular formula C27H31ClN2O10 and molecular weight 578.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one;hydrochloride
Also Known As: 5-Iminodoxorubicin, 5-Iminodoxorubicin hydrochloride, 11-amino-1-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-3,6-dihydroxy-3-(2-hydroxyacetyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride, 5(8H)-Naphthacenone, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-12-imino-1-methoxy-, monohydrochloride, (8S-cis)-, 5(8H)-Naphthacenone, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-12-imino-1-methoxy-, monohydrochloride, (8S-cis)-
| Molecular Formula | C27H31ClN2O10 |
|---|---|
| Molecular Weight | 578.17 g/mol |
| LogP | 0.60827 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 578.16675 |
| Heavy Atoms | 40 |
| Complexity | 980.0 |
Chemical Identifiers
| CAS Number | 77331-69-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl |
| InChIKey | KHCRLBOOAMTXBC-UHFFFAOYSA-N |
Product Overview
5-Iminodoxorubicin (CAS 77331-69-2), with molecular formula C27H31ClN2O10 and molecular weight 578.17 g/mol. IUPAC: 10-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one;hydrochloride.
Chemical Property Profile of 5-Iminodoxorubicin
Property Insights of 5-Iminodoxorubicin
The XLogP value of 0.60827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iminodoxorubicin. The TPSA of 213.0 Ų indicates high polarity, suggesting 5-Iminodoxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Iminodoxorubicin has 8 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 5-Iminodoxorubicin?
The CAS number of 5-Iminodoxorubicin is 77331-69-2.
What is the molecular formula of 5-Iminodoxorubicin?
The molecular formula of 5-Iminodoxorubicin is C27H31ClN2O10.
What is the molecular weight of 5-Iminodoxorubicin?
The molecular weight of 5-Iminodoxorubicin is 578.17 g/mol.
Where can I buy 5-Iminodoxorubicin?
You can request a quote for 5-Iminodoxorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Iminodoxorubicin?
Yes, KEHONG BIO provides custom synthesis services for 5-Iminodoxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.