氯代双氢可待因
TL;DR: 氯代双氢可待因 (CAS 63690-27-7) is a chemical compound with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯代双氢可待因
(4R,4aR,7S,7aR,12bS)-7-chloro-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Also Known As: Chlorodihydrocodide, Codide, chlorodihydro-, Morphinan, 6-alpha-chloro-4,5-alpha-epoxy-3-methoxy-17-methyl-, 6alpha-Chloro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan, 6alpha-Chloro-3-methoxy-17-methyl-5alpha-4,5-epoxymorphinan
| Molecular Formula | C18H22ClNO2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 2.9716 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.1339 |
| Heavy Atoms | 22 |
| Complexity | 648.2195 |
Chemical Identifiers
| CAS Number | 63690-27-7 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)Cl |
Product Overview
氯代双氢可待因 (CAS 63690-27-7), with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-7-chloro-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline.
Chemical Property Profile of 氯代双氢可待因
Property Insights of 氯代双氢可待因
The XLogP value of 2.9716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯代双氢可待因. With a topological polar surface area (TPSA) of 21.7 Ų, 氯代双氢可待因 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯代双氢可待因 has 0 hydrogen bond donor(s) and 3 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 氯代双氢可待因?
The CAS number of 氯代双氢可待因 is 63690-27-7.
What is the molecular formula of 氯代双氢可待因?
The molecular formula of 氯代双氢可待因 is C18H22ClNO2.
What is the molecular weight of 氯代双氢可待因?
The molecular weight of 氯代双氢可待因 is 319.13 g/mol.
Where can I buy 氯代双氢可待因?
You can request a quote for 氯代双氢可待因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯代双氢可待因?
Yes, KEHONG BIO provides custom synthesis services for 氯代双氢可待因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.