C26H32N4O5S
TL;DR: C26H32N4O5S (CAS 956044-34-1) is a chemical compound with molecular formula C26H32N4O5S and molecular weight 512.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2S)-4-methylsulfanyl-2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]butanoyl]amino]benzoate
Also Known As: ethyl 4-((S)-4-(methylthio)-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanamido)benzoate, ethyl 4-[(N-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-L-methionyl)amino]benzoate
| Molecular Formula | C26H32N4O5S |
|---|---|
| Molecular Weight | 512.21 g/mol |
| LogP | 2.9141 |
| Topological Polar Surface Area | 109.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.20935 |
| Heavy Atoms | 36 |
| Complexity | 1165.6697 |
Chemical Identifiers
| CAS Number | 956044-34-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 |
Product Overview
C26H32N4O5S (CAS 956044-34-1), with molecular formula C26H32N4O5S and molecular weight 512.21 g/mol. IUPAC: ethyl 4-[[(2S)-4-methylsulfanyl-2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]butanoyl]amino]benzoate.
Chemical Property Profile of C26H32N4O5S
Property Insights of C26H32N4O5S
The XLogP value of 2.9141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C26H32N4O5S. The TPSA of 109.74 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H32N4O5S. Following Lipinski's Rule of Five, C26H32N4O5S has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C26H32N4O5S?
The CAS number of C26H32N4O5S is 956044-34-1.
What is the molecular formula of C26H32N4O5S?
The molecular formula of C26H32N4O5S is C26H32N4O5S.
What is the molecular weight of C26H32N4O5S?
The molecular weight of C26H32N4O5S is 512.21 g/mol.
Where can I buy C26H32N4O5S?
You can request a quote for C26H32N4O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H32N4O5S?
Yes, KEHONG BIO provides custom synthesis services for C26H32N4O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.