C25H33N3O2S
TL;DR: C25H33N3O2S (CAS 956233-32-2) is a chemical compound with molecular formula C25H33N3O2S and molecular weight 439.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[(1R,2S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbothioyl]amino]benzoate
Also Known As: ethyl 3-((6R,6aR,13R,13aS)-2,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-1H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1-carbothioamido)benzoate, ethyl 3-{[(6aR,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-ylcarbonothioyl]amino}benzoate
| Molecular Formula | C25H33N3O2S |
|---|---|
| Molecular Weight | 439.23 g/mol |
| LogP | 4.4551 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.22934 |
| Heavy Atoms | 31 |
| Complexity | 885.273 |
Chemical Identifiers
| CAS Number | 956233-32-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCCC3=C[C@@H]4C[C@@H]([C@@H]32)CN5[C@@H]4CCCC5 |
Product Overview
C25H33N3O2S (CAS 956233-32-2), with molecular formula C25H33N3O2S and molecular weight 439.23 g/mol. IUPAC: ethyl 3-[[(1R,2S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbothioyl]amino]benzoate.
Chemical Property Profile of C25H33N3O2S
Property Insights of C25H33N3O2S
The XLogP value of 4.4551 indicates that C25H33N3O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, C25H33N3O2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H33N3O2S has 1 hydrogen bond donor(s) and 4 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 C25H33N3O2S?
The CAS number of C25H33N3O2S is 956233-32-2.
What is the molecular formula of C25H33N3O2S?
The molecular formula of C25H33N3O2S is C25H33N3O2S.
What is the molecular weight of C25H33N3O2S?
The molecular weight of C25H33N3O2S is 439.23 g/mol.
Where can I buy C25H33N3O2S?
You can request a quote for C25H33N3O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H33N3O2S?
Yes, KEHONG BIO provides custom synthesis services for C25H33N3O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.