Alanycarb
TL;DR: Alanycarb (CAS 114416-15-8) is a chemical compound with molecular formula C17H25N3O4S2 and molecular weight 399.12866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[benzyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylamino]propanoate
Also Known As: Alanycarb, Ethyl 6,10-dimethyl-7-oxo-4-(phenylmethyl)-8-oxa-5,11-dithia-4,6,9-triazadodec-9-enoate, Ethyl N-benzyl-N-({methyl[({[1-(methylsulfanyl)ethylidene]amino}oxy)carbonyl]amino}sulfanyl)-beta-alaninate
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H25N3O4S2 |
| Molecular Weight | 399.12866 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 399.12866 Da |
| Heavy Atoms | 26 |
| Complexity | 471.0 |
| SMILES | CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)ON=C(C)SC |
| InChIKey | GMAUQNJOSOMMHI-UHFFFAOYSA-N |
Chemical Property Profile of Alanycarb
Property Insights of Alanycarb
The XLogP value of 3.4 indicates that Alanycarb is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanycarb. Following Lipinski's Rule of Five, Alanycarb has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Alanycarb?
The CAS number of Alanycarb is 114416-15-8.
What is the molecular formula of Alanycarb?
The molecular formula of Alanycarb is C17H25N3O4S2.
What is the molecular weight of Alanycarb?
The molecular weight of Alanycarb is 399.12866 g/mol.
Where can I buy Alanycarb?
You can request a quote for Alanycarb directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alanycarb?
Yes, CoreyChem provides custom synthesis services for Alanycarb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.