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buprenorphine structure
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buprenorphine

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

CAS Number
136781-89-0
Molecular Formula
C29H41NO4
Molecular Weight
467.30356 g/mol
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Technical Specifications

Molecular FormulaC29H41NO4
Molecular Weight467.30356 g/mol
XLogP5.0
Topological Polar Surface Area (TPSA)62.2 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds5
Exact Mass467.30356 Da
Heavy Atoms34
Complexity869.0
SMILESCC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O
InChIKeyRMRJXGBAOAMLHD-UHFFFAOYSA-N

Chemical Property Profile of buprenorphine

XLogP
5.0
TPSA (Topological Polar Surface Area)
62.2
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
5
Heavy Atoms
34
Complexity
869.0
Exact Mass
467.30356
Monoisotopic Mass
467.30356
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of buprenorphine

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.

Frequently Asked Questions

What is the CAS number of buprenorphine?

The CAS number of buprenorphine is 136781-89-0.

What is the molecular formula of buprenorphine?

The molecular formula of buprenorphine is C29H41NO4.

What is the molecular weight of buprenorphine?

The molecular weight of buprenorphine is 467.30356 g/mol.

Where can I buy buprenorphine?

You can request a quote for buprenorphine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for buprenorphine?

Yes, CoreyChem provides custom synthesis services for buprenorphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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