TL;DR: buprenorphine (CAS 136781-89-0) is a chemical compound with molecular formula C29H41NO4 and molecular weight 467.30356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Also Known As: buprenorphine, Temgesic, DEA No. 9064, RX 6029M, Buprenorphine-d4 (cyclopropyl-2,2,3,3-d4) hydrochloride
| Molecular Formula | C29H41NO4 |
| Molecular Weight | 467.30356 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.30356 Da |
| Heavy Atoms | 34 |
| Complexity | 869.0 |
| SMILES | CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O |
| InChIKey | RMRJXGBAOAMLHD-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that buprenorphine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for buprenorphine. Following Lipinski's Rule of Five, buprenorphine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of buprenorphine is 136781-89-0.
The molecular formula of buprenorphine is C29H41NO4.
The molecular weight of buprenorphine is 467.30356 g/mol.
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