ChemDiv3_003502
TL;DR: ChemDiv3_003502 (CAS 476452-12-7) is a chemical compound with molecular formula C25H32N4O3S and molecular weight 468.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: ChemDiv3_003502, IDI1_021412, BRD-A83364889-001-01-1, F0528-0933, ethyl 2-((5-(((1S,3s)-adamantane-1-carboxamido)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate
| Molecular Formula | C25H32N4O3S |
|---|---|
| Molecular Weight | 468.22 g/mol |
| LogP | 4.1436 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.2195 |
| Heavy Atoms | 33 |
| Complexity | 986.63007 |
Chemical Identifiers
| CAS Number | 476452-12-7 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
ChemDiv3_003502 (CAS 476452-12-7), with molecular formula C25H32N4O3S and molecular weight 468.22 g/mol. IUPAC: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate.
Chemical Property Profile of ChemDiv3_003502
Property Insights of ChemDiv3_003502
The XLogP value of 4.1436 indicates that ChemDiv3_003502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003502. Following Lipinski's Rule of Five, ChemDiv3_003502 has 1 hydrogen bond donor(s) and 6 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 ChemDiv3_003502?
The CAS number of ChemDiv3_003502 is 476452-12-7.
What is the molecular formula of ChemDiv3_003502?
The molecular formula of ChemDiv3_003502 is C25H32N4O3S.
What is the molecular weight of ChemDiv3_003502?
The molecular weight of ChemDiv3_003502 is 468.22 g/mol.
Where can I buy ChemDiv3_003502?
You can request a quote for ChemDiv3_003502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003502?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.