WP 652
TL;DR: WP 652 (CAS 186131-38-4) is a chemical compound with molecular formula C62H64N2O20 and molecular weight 1156.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
WP 652
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]methyl]phenyl]methylamino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: WP 652, DM1-MEB-MEB-DM1, (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]methyl]phenyl]methylamino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]methyl]phenyl]methylamino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-tri, (8S,10S)-8-ACETYL-10-{[(2R,4S,5S,6S)-4-({[4-({[(2S,3S,4S,6R)-6-{[(1S,3S)-3-ACETYL-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-1-YL]OXY}-3-HYDROXY-2-METHYLOXAN-4-YL]AMINO}METHYL)PHENYL]METHYL}AMINO)-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-6,8,11-TRIHYDROXY-1-METHOXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE
| Molecular Formula | C62H64N2O20 |
|---|---|
| Molecular Weight | 1156.41 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 344.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 14 |
| Exact Mass | 1156.4053 |
| Heavy Atoms | 84 |
| Complexity | 2300.0 |
Chemical Identifiers
| CAS Number | 186131-38-4 |
|---|---|
| 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)C)O)NCC6=CC=C(C=C6)CN[C@H]7C[C@@H](O[C@H]([C@H]7O)C)O[C@H]8C[C@@](CC9=C8C(=C1C(=C9O)C(=O)C2=C(C1=O)C(=CC=C2)OC)O)(C(=O)C)O)O |
| InChIKey | HTOLWQNKVYAHLB-MJSRGEEMSA-N |
Product Overview
WP 652 (CAS 186131-38-4), with molecular formula C62H64N2O20 and molecular weight 1156.41 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]methyl]phenyl]methylamino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of WP 652
Property Insights of WP 652
The XLogP value of 5.2 indicates that WP 652 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 344.0 Ų indicates high polarity, suggesting WP 652 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, WP 652 has 10 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of WP 652?
The CAS number of WP 652 is 186131-38-4.
What is the molecular formula of WP 652?
The molecular formula of WP 652 is C62H64N2O20.
What is the molecular weight of WP 652?
The molecular weight of WP 652 is 1156.41 g/mol.
Where can I buy WP 652?
You can request a quote for WP 652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WP 652?
Yes, KEHONG BIO provides custom synthesis services for WP 652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.