Iododoxorubicin
TL;DR: Iododoxorubicin (CAS 83943-83-3) is a chemical compound with molecular formula C27H28INO10 and molecular weight 653.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-iodo-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Iododoxorubicin, Iododoxorubicin HCl, Iododoxorubicin hydrochloride, NCI60_003570, 4'-Iodo-4'-deoxydoxorubicin hydrochloride
| Molecular Formula | C27H28INO10 |
|---|---|
| Molecular Weight | 653.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 653.0758 |
| Heavy Atoms | 39 |
| Complexity | 982.0 |
Chemical Identifiers
| CAS Number | 83943-83-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)I |
| InChIKey | PDQGEKGUTOTUNV-UHFFFAOYSA-N |
Product Overview
Iododoxorubicin (CAS 83943-83-3), with molecular formula C27H28INO10 and molecular weight 653.08 g/mol. IUPAC: 7-(4-amino-5-iodo-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Iododoxorubicin
Property Insights of Iododoxorubicin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iododoxorubicin. The TPSA of 186.0 Ų indicates high polarity, suggesting Iododoxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iododoxorubicin 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 Iododoxorubicin?
The CAS number of Iododoxorubicin is 83943-83-3.
What is the molecular formula of Iododoxorubicin?
The molecular formula of Iododoxorubicin is C27H28INO10.
What is the molecular weight of Iododoxorubicin?
The molecular weight of Iododoxorubicin is 653.08 g/mol.
Where can I buy Iododoxorubicin?
You can request a quote for Iododoxorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iododoxorubicin?
Yes, KEHONG BIO provides custom synthesis services for Iododoxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.