ent-17-allyl-morphinan-3-ol
TL;DR: ent-17-allyl-morphinan-3-ol (CAS 5822-51-5) is a chemical compound with molecular formula C22H20N2O3S3 and molecular weight 456.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-methyl-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ent-17-allyl-morphinan-3-ol, ethyl 7-methyl-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (8E)-4-METHYL-8-[(4-METHYLSULFANYLPHENYL)METHYLIDENE]-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, Ethyl 7-methyl-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H20N2O3S3 |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 3.5817 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.0636 |
| Heavy Atoms | 30 |
| Complexity | 1282.8383 |
Chemical Identifiers
| CAS Number | 5822-51-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=C(C=C4)SC)S2)C |
Product Overview
ent-17-allyl-morphinan-3-ol (CAS 5822-51-5), with molecular formula C22H20N2O3S3 and molecular weight 456.06 g/mol. IUPAC: ethyl 7-methyl-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ent-17-allyl-morphinan-3-ol
Property Insights of ent-17-allyl-morphinan-3-ol
The XLogP value of 3.5817 indicates that ent-17-allyl-morphinan-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ent-17-allyl-morphinan-3-ol. Following Lipinski's Rule of Five, ent-17-allyl-morphinan-3-ol has 0 hydrogen bond donor(s) and 7 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 ent-17-allyl-morphinan-3-ol?
The CAS number of ent-17-allyl-morphinan-3-ol is 5822-51-5.
What is the molecular formula of ent-17-allyl-morphinan-3-ol?
The molecular formula of ent-17-allyl-morphinan-3-ol is C22H20N2O3S3.
What is the molecular weight of ent-17-allyl-morphinan-3-ol?
The molecular weight of ent-17-allyl-morphinan-3-ol is 456.06 g/mol.
Where can I buy ent-17-allyl-morphinan-3-ol?
You can request a quote for ent-17-allyl-morphinan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ent-17-allyl-morphinan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for ent-17-allyl-morphinan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.