Wpe-III-31C
TL;DR: Wpe-III-31C (CAS 398515-96-3) is a chemical compound with molecular formula C35H52N4O7 and molecular weight 640.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[(2S)-2-[[benzyl-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate
Also Known As: WPE-III-31C, WPE-III-31-C, InSolution™ gamma-Secretase Inhibitor XVII, J1.755.288K, 31C
| Molecular Formula | C35H52N4O7 |
|---|---|
| Molecular Weight | 640.38 g/mol |
| LogP | 4.4236 |
| Topological Polar Surface Area | 146.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 640.3836 |
| Heavy Atoms | 46 |
| Complexity | 1248.597 |
Chemical Identifiers
| CAS Number | 398515-96-3 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)N(CC1=CC=CC=C1)C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O |
Product Overview
Wpe-III-31C (CAS 398515-96-3), with molecular formula C35H52N4O7 and molecular weight 640.38 g/mol. IUPAC: methyl (2S)-2-[[(2S)-2-[[benzyl-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate.
Chemical Property Profile of Wpe-III-31C
Property Insights of Wpe-III-31C
The XLogP value of 4.4236 indicates that Wpe-III-31C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.3 Ų indicates high polarity, suggesting Wpe-III-31C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Wpe-III-31C has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Wpe-III-31C?
The CAS number of Wpe-III-31C is 398515-96-3.
What is the molecular formula of Wpe-III-31C?
The molecular formula of Wpe-III-31C is C35H52N4O7.
What is the molecular weight of Wpe-III-31C?
The molecular weight of Wpe-III-31C is 640.38 g/mol.
Where can I buy Wpe-III-31C?
You can request a quote for Wpe-III-31C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wpe-III-31C?
Yes, KEHONG BIO provides custom synthesis services for Wpe-III-31C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.