BYB7H7QX46
TL;DR: BYB7H7QX46 (CAS 58082-65-8) is a chemical compound with molecular formula C21H31N3O10S and molecular weight 517.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-methylsulfonylethoxycarbonylamino)hexanoate
Also Known As: p-Nitrophenyl N2-(tert-butoxycarbonyl)-N6-((2-(methylsulphonyl)ethoxy)carbonyl)-L-lysinate, 4-nitrophenyl n2-(tert-butoxycarbonyl)-n6-{[2-(methylsulfonyl)ethoxy]carbonyl}-l-lysinate, p-Nitrophenyl n2-(tert-butoxycarbonyl)-n6-[[2-(methylsulfonyl)ethoxy]carbonyl]-L-lysinate, P-nitrophenyl N2-(tert-butoxycarbonyl)-N6-[[2-(methylsulphonyl)ethoxy]carbonyl]-L-lysinate, (4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-methylsulfonylethoxycarbonylamino)hexanoate
| Molecular Formula | C21H31N3O10S |
|---|---|
| Molecular Weight | 517.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 517.17303 |
| Heavy Atoms | 35 |
| Complexity | 822.0 |
Chemical Identifiers
| CAS Number | 58082-65-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCCS(=O)(=O)C)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | AMMIWIHTJFNQDK-KRWDZBQOSA-N |
Product Overview
BYB7H7QX46 (CAS 58082-65-8), with molecular formula C21H31N3O10S and molecular weight 517.17 g/mol. IUPAC: (4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-methylsulfonylethoxycarbonylamino)hexanoate.
Chemical Property Profile of BYB7H7QX46
Property Insights of BYB7H7QX46
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BYB7H7QX46. The TPSA of 191.0 Ų indicates high polarity, suggesting BYB7H7QX46 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BYB7H7QX46 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BYB7H7QX46?
The CAS number of BYB7H7QX46 is 58082-65-8.
What is the molecular formula of BYB7H7QX46?
The molecular formula of BYB7H7QX46 is C21H31N3O10S.
What is the molecular weight of BYB7H7QX46?
The molecular weight of BYB7H7QX46 is 517.17 g/mol.
Where can I buy BYB7H7QX46?
You can request a quote for BYB7H7QX46 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BYB7H7QX46?
Yes, KEHONG BIO provides custom synthesis services for BYB7H7QX46 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.