S 2864
TL;DR: S 2864 (CAS 6284-74-8) is a chemical compound with molecular formula C41H59N7O7 and molecular weight 761.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide
Also Known As: S 2864, S-2864, A-[4-(4-aminopiperidin-1-yl)-2-benzyl-4-oxobutanoyl]-n-[(3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-(pyridin-2-yl)hexan-2-yl]-l-histidinamide acetate(1:1), 1-Piperidinebutanamide, 4-amino-N-(2-((1-(cyclohexylmethyl)-2,3-dihydroxy-5-(2-pyridinyl)pentyl)amino)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-gamma-oxo-alpha-(phenylmethyl)-, (1S-(1R*(R*(S*)),2S*,3R*))-, monoacetate (salt), acetic acid;4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide
| Molecular Formula | C41H59N7O7 |
|---|---|
| Molecular Weight | 761.45 g/mol |
| LogP | 2.9314 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 761.4476 |
| Heavy Atoms | 55 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 6284-74-8 |
|---|---|
| SMILES | CC(=O)O.C1CCC(CC1)CC([C@H]([C@H](CCC2=CC=CC=N2)O)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)C(CC4=CC=CC=C4)CC(=O)N5CCC(CC5)N |
| InChIKey | UOEDBDDWFLNBMX-UFBZHCLNSA-N |
Product Overview
S 2864 (CAS 6284-74-8), with molecular formula C41H59N7O7 and molecular weight 761.45 g/mol. IUPAC: acetic acid;4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide.
Chemical Property Profile of S 2864
Property Insights of S 2864
The XLogP value of 2.9314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S 2864. The TPSA of 224.0 Ų indicates high polarity, suggesting S 2864 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S 2864 has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S 2864?
The CAS number of S 2864 is 6284-74-8.
What is the molecular formula of S 2864?
The molecular formula of S 2864 is C41H59N7O7.
What is the molecular weight of S 2864?
The molecular weight of S 2864 is 761.45 g/mol.
Where can I buy S 2864?
You can request a quote for S 2864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S 2864?
Yes, KEHONG BIO provides custom synthesis services for S 2864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.