Thebainehydroquinone dimer diAc
TL;DR: Thebainehydroquinone dimer diAc (CAS 7598-53-0) is a chemical compound with molecular formula C54H54N2O12 and molecular weight 922.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(43-acetyloxy-36,46-dihydroxy-14,18,21,25-tetramethoxy-8,33-dimethyl-16,23-dioxa-8,33-diazapentadecacyclo[19.13.6.64,18.15,11.128,34.01,30.02,20.03,19.04,9.05,17.022,30.024,29.035,40.015,48.042,47]octatetraconta-11(48),12,14,24,26,28,35,37,39,42,44,46-dodecaen-39-yl) acetate
Also Known As: Thebainehydroquinone dimer diAc, Thebainehydroquinone, diacetate (ester), Thebainehydroquinine, dimer, diacetate (ester), 36,46-Dihydroxy-14,18,21,25-tetramethoxy-8,33-dimethyl-16,23-dioxa-8,33-diazapentadecacyclo[19.13.6.6~4,18~.1~5,11~.1~28,34~.0~1,30~.0~2,20~.0~3,19~.0~4,9~.0~5,17~.0~15,48~.0~22,30~.0~24,29~.0~35,40~.0~42,47~]octatetraconta-11(48),12,14,24,26,28,35,37,39,42,44,46-dodecaene-39,43-diyl diacetate
| Molecular Formula | C54H54N2O12 |
|---|---|
| Molecular Weight | 922.37 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 922.3677 |
| Heavy Atoms | 68 |
| Complexity | 2040.0 |
Chemical Identifiers
| CAS Number | 7598-53-0 |
|---|---|
| SMILES | CC(=O)OC1=C2C(=C(C=C1)O)C34C5CC6=C7C3(CCN5C)C(C2(C8C4C9C8C1(C2C34C9(C(CC5=C3C(=C(C=C5)OC)O2)N(CC4)C)C2=C(C=CC(=C21)OC(=O)C)O)OC)OC)OC7=C(C=C6)OC |
| InChIKey | YRZWUZGUOHNUHU-UHFFFAOYSA-N |
Product Overview
Thebainehydroquinone dimer diAc (CAS 7598-53-0), with molecular formula C54H54N2O12 and molecular weight 922.37 g/mol. IUPAC: (43-acetyloxy-36,46-dihydroxy-14,18,21,25-tetramethoxy-8,33-dimethyl-16,23-dioxa-8,33-diazapentadecacyclo[19.13.6.64,18.15,11.128,34.01,30.02,20.03,19.04,9.05,17.022,30.024,29.035,40.015,48.042,47]octatetraconta-11(48),12,14,24,26,28,35,37,39,42,44,46-dodecaen-39-yl) acetate.
Chemical Property Profile of Thebainehydroquinone dimer diAc
Property Insights of Thebainehydroquinone dimer diAc
The XLogP value of 5.1 indicates that Thebainehydroquinone dimer diAc is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Thebainehydroquinone dimer diAc may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thebainehydroquinone dimer diAc has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thebainehydroquinone dimer diAc?
The CAS number of Thebainehydroquinone dimer diAc is 7598-53-0.
What is the molecular formula of Thebainehydroquinone dimer diAc?
The molecular formula of Thebainehydroquinone dimer diAc is C54H54N2O12.
What is the molecular weight of Thebainehydroquinone dimer diAc?
The molecular weight of Thebainehydroquinone dimer diAc is 922.37 g/mol.
Where can I buy Thebainehydroquinone dimer diAc?
You can request a quote for Thebainehydroquinone dimer diAc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thebainehydroquinone dimer diAc?
Yes, KEHONG BIO provides custom synthesis services for Thebainehydroquinone dimer diAc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.