![ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate structure](/static/products/2790/2790-85-4.webp)
ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
TL;DR: ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate (CAS 2790-85-4) is a chemical compound with molecular formula C30H38N4O10S2 and molecular weight 678.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
Also Known As: ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate, Ethyl 8,13-bis{[(benzyloxy)carbonyl]amino}-4,7,14-trioxo-3-oxa-10,11-dithia-6,15-diazaheptadecan-17-oate
| Molecular Formula | C30H38N4O10S2 |
|---|---|
| Molecular Weight | 678.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Exact Mass | 678.20294 |
| Heavy Atoms | 46 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 2790-85-4 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O)OCC)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | XOIIILVRJLWDPB-UHFFFAOYSA-N |
Product Overview
ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate (CAS 2790-85-4), with molecular formula C30H38N4O10S2 and molecular weight 678.20 g/mol. IUPAC: ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate.
Chemical Property Profile of ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
Property Insights of ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate. The TPSA of 238.0 Ų indicates high polarity, suggesting ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate?
The CAS number of ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate is 2790-85-4.
What is the molecular formula of ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate?
The molecular formula of ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate is C30H38N4O10S2.
What is the molecular weight of ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate?
The molecular weight of ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate is 678.20 g/mol.
Where can I buy ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate?
You can request a quote for ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.