2-Dcv-cysteinyl-valine
TL;DR: 2-Dcv-cysteinyl-valine (CAS 129888-60-4) is a chemical compound with molecular formula C20H23F3N4O7S2 and molecular weight 552.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2R)-3-(methoxycarbonyldisulfanyl)-2-[[2-[3-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]acetyl]amino]propanoyl]amino]-3-methylbutanoic acid
Also Known As: 2-Dcv-cysteinyl-valine, 2-(3-(3-Trifluoromethyl-3H-diazirin-3-yl)phenoxy)acetyl-S-methyloxycarbonylsulfenylcysteinyl-valine, (2R)-2-[[(2R)-3-(methoxycarbonyldisulfanyl)-2-[[2-[3-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]acetyl]amino]propanoyl]amino]-3-methylbutanoic acid, 3-[(methoxycarbonyl)disulfanyl]-n-({3-[3-(trifluoromethyl)-3h-diaziren-3-yl]phenoxy}acetyl)-l-alanyl-d-valine, (2R)-2-[(2R)-3-[(methoxycarbonyl)disulfanyl]-2-(2-{3-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy}acetamido)propanamido]-3-methylbutanoic acid
| Molecular Formula | C20H23F3N4O7S2 |
|---|---|
| Molecular Weight | 552.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 552.096 |
| Heavy Atoms | 36 |
| Complexity | 854.0 |
Chemical Identifiers
| CAS Number | 129888-60-4 |
|---|---|
| SMILES | CC(C)[C@H](C(=O)O)NC(=O)[C@H](CSSC(=O)OC)NC(=O)COC1=CC=CC(=C1)C2(N=N2)C(F)(F)F |
| InChIKey | VLWRQHUSMOIPSC-DZGCQCFKSA-N |
Product Overview
2-Dcv-cysteinyl-valine (CAS 129888-60-4), with molecular formula C20H23F3N4O7S2 and molecular weight 552.10 g/mol. IUPAC: (2R)-2-[[(2R)-3-(methoxycarbonyldisulfanyl)-2-[[2-[3-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]acetyl]amino]propanoyl]amino]-3-methylbutanoic acid.
Chemical Property Profile of 2-Dcv-cysteinyl-valine
Property Insights of 2-Dcv-cysteinyl-valine
The XLogP value of 3.4 indicates that 2-Dcv-cysteinyl-valine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting 2-Dcv-cysteinyl-valine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Dcv-cysteinyl-valine has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Dcv-cysteinyl-valine?
The CAS number of 2-Dcv-cysteinyl-valine is 129888-60-4.
What is the molecular formula of 2-Dcv-cysteinyl-valine?
The molecular formula of 2-Dcv-cysteinyl-valine is C20H23F3N4O7S2.
What is the molecular weight of 2-Dcv-cysteinyl-valine?
The molecular weight of 2-Dcv-cysteinyl-valine is 552.10 g/mol.
Where can I buy 2-Dcv-cysteinyl-valine?
You can request a quote for 2-Dcv-cysteinyl-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dcv-cysteinyl-valine?
Yes, KEHONG BIO provides custom synthesis services for 2-Dcv-cysteinyl-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.