RefChem:1060340
TL;DR: RefChem:1060340 (CAS 63869-41-0) is a chemical compound with molecular formula C19H26ClNO4 and molecular weight 367.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,9S,13S)-4-acetyloxy-1-ethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl] acetate;hydrochloride
Also Known As: alpha-2',9-Diacetoxy-5-ethyl-2(N)-methyl-6,7-benzomorphan hydrochloride, 2,6-Methano-3-benzazocine-8,11-beta-diol, 1,2,3,4,5,6-hexahydro-6-ethyl-3-methyl-, diacetate (ester), hydrochloride, (2S,6S,11S)-6-Ethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine-8,11-diyl diacetate--hydrogen chloride (1/1), 2,6-Methano-3-benzazocine-8,11-diol, 6-ethyl-1,2,3,4,5,6-hexahydro-3-methyl-, diacetate (ester), hydrochloride, (2.alpha.,6.alpha.,11S*)-, 6-Ethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine-8,11-diyl diacetate--hydrogen chloride (1/1)
| Molecular Formula | C19H26ClNO4 |
|---|---|
| Molecular Weight | 367.16 g/mol |
| LogP | 2.8734 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.15503 |
| Heavy Atoms | 25 |
| Complexity | 677.388 |
Chemical Identifiers
| CAS Number | 63869-41-0 |
|---|---|
| SMILES | CC[C@@]12CCN([C@H]([C@H]1OC(=O)C)CC3=C2C=C(C=C3)OC(=O)C)C.Cl |
Product Overview
RefChem:1060340 (CAS 63869-41-0), with molecular formula C19H26ClNO4 and molecular weight 367.16 g/mol. IUPAC: [(1S,9S,13S)-4-acetyloxy-1-ethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl] acetate;hydrochloride.
Chemical Property Profile of RefChem:1060340
Property Insights of RefChem:1060340
The XLogP value of 2.8734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1060340. With a topological polar surface area (TPSA) of 55.84 Ų, RefChem:1060340 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1060340 has 0 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 RefChem:1060340?
The CAS number of RefChem:1060340 is 63869-41-0.
What is the molecular formula of RefChem:1060340?
The molecular formula of RefChem:1060340 is C19H26ClNO4.
What is the molecular weight of RefChem:1060340?
The molecular weight of RefChem:1060340 is 367.16 g/mol.
Where can I buy RefChem:1060340?
You can request a quote for RefChem:1060340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060340?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.