3-Dapoa-Val-Apns-Dmt-NHtBu
TL;DR: 3-Dapoa-Val-Apns-Dmt-NHtBu (CAS 210181-19-4) is a chemical compound with molecular formula C35H51N5O6S and molecular weight 669.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-N-tert-butyl-3-[(2S,3S)-3-[[(2S)-2-[[2-[3-(dimethylamino)phenoxy]acetyl]amino]-3-methylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Also Known As: 3-Dapoa-Val-Apns-Dmt-NHtBu, (4R)-N-tert-butyl-3-[(2S,3S)-3-[[(2S)-2-[[2-[3-(dimethylamino)phenoxy]acetyl]amino]-3-methylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 4-Thiazolidinecarboxamide, 3-((2S,3S)-3-(((2S)-2-((2-(3-(dimethylamino)phenoxy)acetyl)amino)-3-methyl-1-oxobutyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-N-(1,1-dimethylethyl)-5,5-dimethyl-, (4R)-, (R)-N-(tert-butyl)-3-((2S,3S)-3-((S)-2-(2-(3-(dimethylamino)phenoxy)acetamido)-3-methylbutanamido)-2-hydroxy-4-phenylbutanoyl)-5,5-dimethylthiazolidine-4-carboxamide, (4R)-N-tert-butyl-3-[(2S,3S)-3-[[(2S)-2-[[2-[3-(dimethylamino)phenoxy]acetyl]amino]-3-methyl-butanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide
| Molecular Formula | C35H51N5O6S |
|---|---|
| Molecular Weight | 669.36 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 669.356 |
| Heavy Atoms | 47 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 210181-19-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C(=O)N2CSC([C@H]2C(=O)NC(C)(C)C)(C)C)O)NC(=O)COC3=CC=CC(=C3)N(C)C |
| InChIKey | FLGSEMHTCIIOEU-ZVVXMFRTSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Dapoa-Val-Apns-Dmt-NHtBu (CAS 210181-19-4), with molecular formula C35H51N5O6S and molecular weight 669.36 g/mol. IUPAC: (4R)-N-tert-butyl-3-[(2S,3S)-3-[[(2S)-2-[[2-[3-(dimethylamino)phenoxy]acetyl]amino]-3-methylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.
Chemical Property Profile of 3-Dapoa-Val-Apns-Dmt-NHtBu
Property Insights of 3-Dapoa-Val-Apns-Dmt-NHtBu
The XLogP value of 4.5 indicates that 3-Dapoa-Val-Apns-Dmt-NHtBu is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting 3-Dapoa-Val-Apns-Dmt-NHtBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Dapoa-Val-Apns-Dmt-NHtBu has 4 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 3-Dapoa-Val-Apns-Dmt-NHtBu?
The CAS number of 3-Dapoa-Val-Apns-Dmt-NHtBu is 210181-19-4.
What is the molecular formula of 3-Dapoa-Val-Apns-Dmt-NHtBu?
The molecular formula of 3-Dapoa-Val-Apns-Dmt-NHtBu is C35H51N5O6S.
What is the molecular weight of 3-Dapoa-Val-Apns-Dmt-NHtBu?
The molecular weight of 3-Dapoa-Val-Apns-Dmt-NHtBu is 669.36 g/mol.
Where can I buy 3-Dapoa-Val-Apns-Dmt-NHtBu?
You can request a quote for 3-Dapoa-Val-Apns-Dmt-NHtBu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dapoa-Val-Apns-Dmt-NHtBu?
Yes, KEHONG BIO provides custom synthesis services for 3-Dapoa-Val-Apns-Dmt-NHtBu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.