4'-Epitetrahydropyranyladriamycin
TL;DR: 4'-Epitetrahydropyranyladriamycin (CAS 97858-99-6) is a chemical compound with molecular formula C32H37NO12 and molecular weight 627.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-6-methyl-5-(oxan-2-yloxy)oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Theprubicin-HCl, 4'-Epitetrahydropyranyladriamycin, (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-6-methyl-5-(oxan-2-yloxy)oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-4-O-(tetrahydro-2H-pyran-2-yl)-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-(8alpha,10alpha))-
| Molecular Formula | C32H37NO12 |
|---|---|
| Molecular Weight | 627.23 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 627.23157 |
| Heavy Atoms | 45 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 97858-99-6 |
|---|---|
| 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)N)OC6CCCCO6 |
| InChIKey | KMSKQZKKOZQFFG-GWWWOGIDSA-N |
Product Overview
4'-Epitetrahydropyranyladriamycin (CAS 97858-99-6), with molecular formula C32H37NO12 and molecular weight 627.23 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-6-methyl-5-(oxan-2-yloxy)oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4'-Epitetrahydropyranyladriamycin
Property Insights of 4'-Epitetrahydropyranyladriamycin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Epitetrahydropyranyladriamycin. The TPSA of 204.0 Ų indicates high polarity, suggesting 4'-Epitetrahydropyranyladriamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Epitetrahydropyranyladriamycin has 5 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 4'-Epitetrahydropyranyladriamycin?
The CAS number of 4'-Epitetrahydropyranyladriamycin is 97858-99-6.
What is the molecular formula of 4'-Epitetrahydropyranyladriamycin?
The molecular formula of 4'-Epitetrahydropyranyladriamycin is C32H37NO12.
What is the molecular weight of 4'-Epitetrahydropyranyladriamycin?
The molecular weight of 4'-Epitetrahydropyranyladriamycin is 627.23 g/mol.
Where can I buy 4'-Epitetrahydropyranyladriamycin?
You can request a quote for 4'-Epitetrahydropyranyladriamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Epitetrahydropyranyladriamycin?
Yes, KEHONG BIO provides custom synthesis services for 4'-Epitetrahydropyranyladriamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.