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