N-Benzyladriamycin-14-valerate
TL;DR: N-Benzyladriamycin-14-valerate (CAS 6300-07-8) is a chemical compound with molecular formula C39H43NO12 and molecular weight 717.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanoate
Also Known As: N-Benzyladriamycin-14-valerate, AD 198, N-Benzyladriamycin 14-valerate, [2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanoate, 2-[(2s,4s)-4-{[3-(benzylamino)-2,3,6-trideoxy-
| Molecular Formula | C39H43NO12 |
|---|---|
| Molecular Weight | 717.28 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 717.2785 |
| Heavy Atoms | 52 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 6300-07-8 |
|---|---|
| SMILES | CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NCC6=CC=CC=C6)O |
| InChIKey | IUKSGXMOHXEUJY-YWVRLZQXSA-N |
Product Overview
N-Benzyladriamycin-14-valerate (CAS 6300-07-8), with molecular formula C39H43NO12 and molecular weight 717.28 g/mol. IUPAC: [2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanoate.
Chemical Property Profile of N-Benzyladriamycin-14-valerate
Property Insights of N-Benzyladriamycin-14-valerate
The XLogP value of 4.7 indicates that N-Benzyladriamycin-14-valerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting N-Benzyladriamycin-14-valerate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Benzyladriamycin-14-valerate 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 N-Benzyladriamycin-14-valerate?
The CAS number of N-Benzyladriamycin-14-valerate is 6300-07-8.
What is the molecular formula of N-Benzyladriamycin-14-valerate?
The molecular formula of N-Benzyladriamycin-14-valerate is C39H43NO12.
What is the molecular weight of N-Benzyladriamycin-14-valerate?
The molecular weight of N-Benzyladriamycin-14-valerate is 717.28 g/mol.
Where can I buy N-Benzyladriamycin-14-valerate?
You can request a quote for N-Benzyladriamycin-14-valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyladriamycin-14-valerate?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyladriamycin-14-valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.