RefChem:1089886
TL;DR: RefChem:1089886 (CAS 5041-46-3) is a chemical compound with molecular formula C35H46Cl2N2O3 and molecular weight 612.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl) carbonate;dihydrochloride
Also Known As: d-N,N'-Dimethyl-3,3'-(carbonyldioxy)-dimorphinan hydrochloride, C35H44N2O3.2ClH.1/3CHCl3.3H2O, bis(17-methylmorphinan-3-yl) carbonate dihydrochloride, C35-H44-N2-O3.2Cl-H.1/3C-H-Cl3.3H2-O, Morphinan-3-ol, 17-methyl-, carbonate (2:1) (ester), hydrochloride, trichloromethane, hydrate (6:1:9), (9-alpha,13-alpha,14-alpha)-
| Molecular Formula | C35H46Cl2N2O3 |
|---|---|
| Molecular Weight | 612.29 g/mol |
| LogP | 7.4844 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 612.2886 |
| Heavy Atoms | 42 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 5041-46-3 |
|---|---|
| SMILES | CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC(=O)OC5=CC6=C(CC7C8C6(CCCC8)CCN7C)C=C5.Cl.Cl |
| InChIKey | APLRPDDVEAIUPO-UHFFFAOYSA-N |
Product Overview
RefChem:1089886 (CAS 5041-46-3), with molecular formula C35H46Cl2N2O3 and molecular weight 612.29 g/mol. IUPAC: bis(17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl) carbonate;dihydrochloride.
Chemical Property Profile of RefChem:1089886
Property Insights of RefChem:1089886
The XLogP value of 7.4844 indicates that RefChem:1089886 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, RefChem:1089886 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1089886 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1089886?
The CAS number of RefChem:1089886 is 5041-46-3.
What is the molecular formula of RefChem:1089886?
The molecular formula of RefChem:1089886 is C35H46Cl2N2O3.
What is the molecular weight of RefChem:1089886?
The molecular weight of RefChem:1089886 is 612.29 g/mol.
Where can I buy RefChem:1089886?
You can request a quote for RefChem:1089886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089886?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.