Bis(2-PyAc-Val-Phe-psi-(CHOH))
TL;DR: Bis(2-PyAc-Val-Phe-psi-(CHOH)) (CAS 13509-41-6) is a chemical compound with molecular formula C42H52N6O6 and molecular weight 736.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[(2-pyridin-2-ylacetyl)amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[(2-pyridin-2-ylacetyl)amino]butanamide
Also Known As: Bis(2-PyAc-Val-Phe-psi-(CHOH)), KST-1A1162, Bis(2-PyAc-Val-Phe-.psi.-[CHOH]), Carbanilic acid, thio-, O-methyl ester, Carbamothioic acid, phenyl-, O-methyl ester
| Molecular Formula | C42H52N6O6 |
|---|---|
| Molecular Weight | 736.39 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 736.39484 |
| Heavy Atoms | 54 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 13509-41-6 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=N3)O)O)NC(=O)CC4=CC=CC=N4 |
| InChIKey | ZWBRQYSXZUTBRN-PVDPUWTDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-PyAc-Val-Phe-psi-(CHOH)) (CAS 13509-41-6), with molecular formula C42H52N6O6 and molecular weight 736.39 g/mol. IUPAC: (2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[(2-pyridin-2-ylacetyl)amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[(2-pyridin-2-ylacetyl)amino]butanamide.
Chemical Property Profile of Bis(2-PyAc-Val-Phe-psi-(CHOH))
Property Insights of Bis(2-PyAc-Val-Phe-psi-(CHOH))
The XLogP value of 4.2 indicates that Bis(2-PyAc-Val-Phe-psi-(CHOH)) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting Bis(2-PyAc-Val-Phe-psi-(CHOH)) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2-PyAc-Val-Phe-psi-(CHOH)) has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2-PyAc-Val-Phe-psi-(CHOH))?
The CAS number of Bis(2-PyAc-Val-Phe-psi-(CHOH)) is 13509-41-6.
What is the molecular formula of Bis(2-PyAc-Val-Phe-psi-(CHOH))?
The molecular formula of Bis(2-PyAc-Val-Phe-psi-(CHOH)) is C42H52N6O6.
What is the molecular weight of Bis(2-PyAc-Val-Phe-psi-(CHOH))?
The molecular weight of Bis(2-PyAc-Val-Phe-psi-(CHOH)) is 736.39 g/mol.
Where can I buy Bis(2-PyAc-Val-Phe-psi-(CHOH))?
You can request a quote for Bis(2-PyAc-Val-Phe-psi-(CHOH)) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-PyAc-Val-Phe-psi-(CHOH))?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-PyAc-Val-Phe-psi-(CHOH)) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.