4-Bromobenzyl 3-acetylmaprounate
TL;DR: 4-Bromobenzyl 3-acetylmaprounate (CAS 123887-66-1) is a chemical compound with molecular formula C39H55BrO4 and molecular weight 666.32837 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-bromophenyl)methyl (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylate
Also Known As: p-Bbam, 4-Bromobenzyl 3-acetylmaprounate, 3beta-Acetoxy-D-friedoolean-14-ene-28-oic acid 4-bromobenzyl ester, (4-bromophenyl)methyl (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylate, (4-BROMOPHENYL)METHYL (4AS,6BR,8AR,10S,12AR,12BR,14AS,14BS)-10-(ACETYLOXY)-2,2,6B,9,9,12A,14A-HEPTAMETHYL-1,2,3,4,4A,5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-ICOSAHYDROPICENE-4A-CARBOXYLATE
Technical Specifications
| Molecular Formula | C39H55BrO4 |
| Molecular Weight | 666.32837 g/mol |
| XLogP | 10.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 666.32837 Da |
| Heavy Atoms | 44 |
| Complexity | 1180.0 |
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H]5CC(CC[C@@]5(CC=C4[C@@]3(CC[C@H]2C1(C)C)C)C(=O)OCC6=CC=C(C=C6)Br)(C)C)C)C |
| InChIKey | YXYOERKDOLFSLL-FQMFXQSHSA-N |
Chemical Property Profile of 4-Bromobenzyl 3-acetylmaprounate
Property Insights of 4-Bromobenzyl 3-acetylmaprounate
The XLogP value of 10.9 indicates that 4-Bromobenzyl 3-acetylmaprounate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Bromobenzyl 3-acetylmaprounate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobenzyl 3-acetylmaprounate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Bromobenzyl 3-acetylmaprounate?
The CAS number of 4-Bromobenzyl 3-acetylmaprounate is 123887-66-1.
What is the molecular formula of 4-Bromobenzyl 3-acetylmaprounate?
The molecular formula of 4-Bromobenzyl 3-acetylmaprounate is C39H55BrO4.
What is the molecular weight of 4-Bromobenzyl 3-acetylmaprounate?
The molecular weight of 4-Bromobenzyl 3-acetylmaprounate is 666.32837 g/mol.
Where can I buy 4-Bromobenzyl 3-acetylmaprounate?
You can request a quote for 4-Bromobenzyl 3-acetylmaprounate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromobenzyl 3-acetylmaprounate?
Yes, CoreyChem provides custom synthesis services for 4-Bromobenzyl 3-acetylmaprounate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.