2-Pyrrolino-dox
TL;DR: 2-Pyrrolino-dox (CAS 175795-76-3) is a chemical compound with molecular formula C31H33NO11 and molecular weight 595.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5S,6S)-4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-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: 2-Pyrrolino-dox, 2-Pyrrolinodoxorubicin, 2-pyrollinodoxorubicin, AN 201, AN 204
| Molecular Formula | C31H33NO11 |
|---|---|
| Molecular Weight | 595.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 595.2054 |
| Heavy Atoms | 43 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 175795-76-3 |
|---|---|
| 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)N6CCC=C6)O |
| InChIKey | NOPNWHSMQOXAEI-PUCKCBAPSA-N |
Product Overview
2-Pyrrolino-dox (CAS 175795-76-3), with molecular formula C31H33NO11 and molecular weight 595.21 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-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 2-Pyrrolino-dox
Property Insights of 2-Pyrrolino-dox
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolino-dox. The TPSA of 183.0 Ų indicates high polarity, suggesting 2-Pyrrolino-dox may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Pyrrolino-dox has 5 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 2-Pyrrolino-dox?
The CAS number of 2-Pyrrolino-dox is 175795-76-3.
What is the molecular formula of 2-Pyrrolino-dox?
The molecular formula of 2-Pyrrolino-dox is C31H33NO11.
What is the molecular weight of 2-Pyrrolino-dox?
The molecular weight of 2-Pyrrolino-dox is 595.21 g/mol.
Where can I buy 2-Pyrrolino-dox?
You can request a quote for 2-Pyrrolino-dox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolino-dox?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolino-dox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.