6-DSMB-naltrexone
TL;DR: 6-DSMB-naltrexone (CAS 92398-20-4) is a chemical compound with molecular formula C24H27NO5 and molecular weight 409.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3'-methylidenespiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-oxolane]-2'-one
Also Known As: 6-Dsmb-naltrexone, (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3'-methylidenespiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-oxolane]-2'-one, 3,6,14-Trihydroxy-6-(2-carboxyallyl)-17-(cyclopropylmethyl)morphinan gamma-lactone 4,5-epoxide, (4R,4aS,7aR,12bS)-3-(Cyclopropylmethyl)-4a,9-dihydroxy-4'-methylidene-2,3,4,4a,5,6-hexahydro-1H,7aH-spiro[4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,2'-oxolan]-5'-one, 3-(Cyclopropylmethyl)-4a,9-dihydroxy-4'-methylidene-2,3,4,4a,5,6-hexahydro-1H,7aH-spiro[4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,2'-oxolan]-5'-one
| Molecular Formula | C24H27NO5 |
|---|---|
| Molecular Weight | 409.19 g/mol |
| LogP | 2.1982 |
| Topological Polar Surface Area | 79.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.18893 |
| Heavy Atoms | 30 |
| Complexity | 999.0938 |
Chemical Identifiers
| CAS Number | 92398-20-4 |
|---|---|
| SMILES | C=C1CC2(CC[C@]3([C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4CC7CC7)O)OC1=O |
Product Overview
6-DSMB-naltrexone (CAS 92398-20-4), with molecular formula C24H27NO5 and molecular weight 409.19 g/mol. IUPAC: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3'-methylidenespiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-oxolane]-2'-one.
Chemical Property Profile of 6-DSMB-naltrexone
Property Insights of 6-DSMB-naltrexone
The XLogP value of 2.1982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-DSMB-naltrexone. The TPSA of 79.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-DSMB-naltrexone. Following Lipinski's Rule of Five, 6-DSMB-naltrexone has 2 hydrogen bond donor(s) and 6 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-DSMB-naltrexone?
The CAS number of 6-DSMB-naltrexone is 92398-20-4.
What is the molecular formula of 6-DSMB-naltrexone?
The molecular formula of 6-DSMB-naltrexone is C24H27NO5.
What is the molecular weight of 6-DSMB-naltrexone?
The molecular weight of 6-DSMB-naltrexone is 409.19 g/mol.
Where can I buy 6-DSMB-naltrexone?
You can request a quote for 6-DSMB-naltrexone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-DSMB-naltrexone?
Yes, KEHONG BIO provides custom synthesis services for 6-DSMB-naltrexone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.