DATNN
TL;DR: DATNN (CAS 109485-63-4) is a chemical compound with molecular formula C33H42ClNO9 and molecular weight 631.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-nonanoyl-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: DATNN, Undecane,2,2,4,4,6,6,8,8,10-nonamethyl, 4 O-Daunosaminyl-2,4,5,12-tetrahydroxy-2-nonanoyl-1,2,3,4-tetrahydro-6,11-naphthacenedione, 7-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(1-oxononyl)-5,12-naphthacenedione hydrochloride, (7S-cis)-, 3,5,12-Trihydroxy-3-nonanoyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C33H42ClNO9 |
|---|---|
| Molecular Weight | 631.25 g/mol |
| LogP | 4.1728 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 631.2548 |
| Heavy Atoms | 44 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 109485-63-4 |
|---|---|
| SMILES | CCCCCCCCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)OC5CC(C(C(O5)C)O)N)O.Cl |
| InChIKey | HHEARFGBTJAFSA-UHFFFAOYSA-N |
Product Overview
DATNN (CAS 109485-63-4), with molecular formula C33H42ClNO9 and molecular weight 631.25 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-nonanoyl-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of DATNN
Property Insights of DATNN
The XLogP value of 4.1728 indicates that DATNN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting DATNN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DATNN has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DATNN?
The CAS number of DATNN is 109485-63-4.
What is the molecular formula of DATNN?
The molecular formula of DATNN is C33H42ClNO9.
What is the molecular weight of DATNN?
The molecular weight of DATNN is 631.25 g/mol.
Where can I buy DATNN?
You can request a quote for DATNN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DATNN?
Yes, KEHONG BIO provides custom synthesis services for DATNN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.