O,O'-Di(4-methylbenzoyl)apomorphine
TL;DR: O,O'-Di(4-methylbenzoyl)apomorphine (CAS 99640-33-2) is a chemical compound with molecular formula C33H29NO4 and molecular weight 503.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR)-6-methyl-11-(4-methylbenzoyl)oxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] 4-methylbenzoate
Also Known As: O,O'-Di(4-methylbenzoyl)apomorphine, ChemDiv1_019501, 4-Methylbenzoic acid 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diyl ester, 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, bis(p-methylbenzoate), Benzoic acid, 4-methyl-, 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diyl ester
| Molecular Formula | C33H29NO4 |
|---|---|
| Molecular Weight | 503.21 g/mol |
| LogP | 6.49394 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.20966 |
| Heavy Atoms | 38 |
| Complexity | 1553.6785 |
Chemical Identifiers
| CAS Number | 99640-33-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C[C@@H]4C5=C(CCN4C)C=CC=C53)C=C2)OC(=O)C6=CC=C(C=C6)C |
Product Overview
O,O'-Di(4-methylbenzoyl)apomorphine (CAS 99640-33-2), with molecular formula C33H29NO4 and molecular weight 503.21 g/mol. IUPAC: [(6aR)-6-methyl-11-(4-methylbenzoyl)oxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] 4-methylbenzoate.
Chemical Property Profile of O,O'-Di(4-methylbenzoyl)apomorphine
Property Insights of O,O'-Di(4-methylbenzoyl)apomorphine
The XLogP value of 6.49394 indicates that O,O'-Di(4-methylbenzoyl)apomorphine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, O,O'-Di(4-methylbenzoyl)apomorphine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O'-Di(4-methylbenzoyl)apomorphine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O,O'-Di(4-methylbenzoyl)apomorphine?
The CAS number of O,O'-Di(4-methylbenzoyl)apomorphine is 99640-33-2.
What is the molecular formula of O,O'-Di(4-methylbenzoyl)apomorphine?
The molecular formula of O,O'-Di(4-methylbenzoyl)apomorphine is C33H29NO4.
What is the molecular weight of O,O'-Di(4-methylbenzoyl)apomorphine?
The molecular weight of O,O'-Di(4-methylbenzoyl)apomorphine is 503.21 g/mol.
Where can I buy O,O'-Di(4-methylbenzoyl)apomorphine?
You can request a quote for O,O'-Di(4-methylbenzoyl)apomorphine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O'-Di(4-methylbenzoyl)apomorphine?
Yes, KEHONG BIO provides custom synthesis services for O,O'-Di(4-methylbenzoyl)apomorphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.