6-Bromoacetamido-6-desoxynaltrexone
TL;DR: 6-Bromoacetamido-6-desoxynaltrexone (CAS 91409-49-3) is a chemical compound with molecular formula C22H27BrN2O4 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-2-bromoacetamide
Also Known As: 6-Bromoacetamido-6-desoxynaltrexone, N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-2-bromoacetamide, 2-Bromo-N-[17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]ethanimidic acid, Bromo-N-[17-(cyclopropylmethyl)-3,14-dihydroxy-5alpha-4,5-epoxymorphinan-6beta-yl]ethanimidic acid, N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-2-bromoacetamide
| Molecular Formula | C22H27BrN2O4 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 1.836 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.11542 |
| Heavy Atoms | 29 |
| Complexity | 889.8084 |
Chemical Identifiers
| CAS Number | 91409-49-3 |
|---|---|
| SMILES | C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1NC(=O)CBr)OC5=C(C=C4)O)O |
Product Overview
6-Bromoacetamido-6-desoxynaltrexone (CAS 91409-49-3), with molecular formula C22H27BrN2O4 and molecular weight 462.12 g/mol. IUPAC: N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-2-bromoacetamide.
Chemical Property Profile of 6-Bromoacetamido-6-desoxynaltrexone
Property Insights of 6-Bromoacetamido-6-desoxynaltrexone
The XLogP value of 1.836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromoacetamido-6-desoxynaltrexone. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromoacetamido-6-desoxynaltrexone. Following Lipinski's Rule of Five, 6-Bromoacetamido-6-desoxynaltrexone has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Bromoacetamido-6-desoxynaltrexone?
The CAS number of 6-Bromoacetamido-6-desoxynaltrexone is 91409-49-3.
What is the molecular formula of 6-Bromoacetamido-6-desoxynaltrexone?
The molecular formula of 6-Bromoacetamido-6-desoxynaltrexone is C22H27BrN2O4.
What is the molecular weight of 6-Bromoacetamido-6-desoxynaltrexone?
The molecular weight of 6-Bromoacetamido-6-desoxynaltrexone is 462.12 g/mol.
Where can I buy 6-Bromoacetamido-6-desoxynaltrexone?
You can request a quote for 6-Bromoacetamido-6-desoxynaltrexone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromoacetamido-6-desoxynaltrexone?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromoacetamido-6-desoxynaltrexone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.