S-5751
TL;DR: S-5751 (CAS 209268-44-0) is a chemical compound with molecular formula C25H31NO4S and molecular weight 441.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-7-[(1R,2R,3S,5S)-2-[(5-hydroxy-1-benzothiophene-3-carbonyl)amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Also Known As: S-5751, S5751;S 5751, 5-Heptenoic acid, 7-[(1R,2R,3S,5S)-2-[[(5-hydroxybenzo[b]thien-3-yl), 7(2-(5-hydroxybenzo(b)thiophen-3-ylcarbonylamino)-10-norpinan-3-yl)hept-5-enoic Acid, 5-Heptenoic acid, 7-[(1R,2R,3S,5S)-2-[[(5-hydroxybenzo[b]thien-3-yl)carbonyl]amino]-6,6-dimethylbicyclo[3.1.1]hept-3-yl]-, (5E)-
| Molecular Formula | C25H31NO4S |
|---|---|
| Molecular Weight | 441.20 g/mol |
| LogP | 5.5887 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.1974 |
| Heavy Atoms | 31 |
| Complexity | 1008.11566 |
Chemical Identifiers
| CAS Number | 209268-44-0 |
|---|---|
| SMILES | CC1([C@H]2C[C@@H]([C@H]([C@@H]1C2)NC(=O)C3=CSC4=C3C=C(C=C4)O)C/C=C/CCCC(=O)O)C |
Product Overview
S-5751 (CAS 209268-44-0), with molecular formula C25H31NO4S and molecular weight 441.20 g/mol. IUPAC: (E)-7-[(1R,2R,3S,5S)-2-[(5-hydroxy-1-benzothiophene-3-carbonyl)amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid.
Chemical Property Profile of S-5751
Property Insights of S-5751
The XLogP value of 5.5887 indicates that S-5751 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for S-5751. Following Lipinski's Rule of Five, S-5751 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-5751?
The CAS number of S-5751 is 209268-44-0.
What is the molecular formula of S-5751?
The molecular formula of S-5751 is C25H31NO4S.
What is the molecular weight of S-5751?
The molecular weight of S-5751 is 441.20 g/mol.
Where can I buy S-5751?
You can request a quote for S-5751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-5751?
Yes, KEHONG BIO provides custom synthesis services for S-5751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.