pirarubicin
TL;DR: pirarubicin (CAS 72496-41-4) 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.
7-[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: pirarubicin, Pirarubicinum, Pirarubicina, Pirarubicine, Theprubicin-HCl
| 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 | 72496-41-4 |
|---|---|
| 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)OC6CCCCO6 |
| InChIKey | KMSKQZKKOZQFFG-UHFFFAOYSA-N |
Product Overview
pirarubicin (CAS 72496-41-4), with molecular formula C32H37NO12 and molecular weight 627.23 g/mol. IUPAC: 7-[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 pirarubicin
Property Insights of pirarubicin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pirarubicin. The TPSA of 204.0 Ų indicates high polarity, suggesting pirarubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pirarubicin 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 pirarubicin?
The CAS number of pirarubicin is 72496-41-4.
What is the molecular formula of pirarubicin?
The molecular formula of pirarubicin is C32H37NO12.
What is the molecular weight of pirarubicin?
The molecular weight of pirarubicin is 627.23 g/mol.
Where can I buy pirarubicin?
You can request a quote for pirarubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pirarubicin?
Yes, KEHONG BIO provides custom synthesis services for pirarubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.