Einecs 251-317-8
TL;DR: Einecs 251-317-8 (CAS 32976-86-6) is a chemical compound with molecular formula C31H42Cl2FN5O5 and molecular weight 653.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]acetyl]amino]-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanoate
Also Known As: ethyl 4-fluorophenylalanylglycyl-3-[bis(2-chloroethyl)amino]phenylalanylnorvalinate, ETHYL N-[3-[BIS(2-CHLOROETHYL)AMINO]-N-[N-(4-FLUORO-3-PHENYL-L-ALANYL)GLYCYL]-3-PHENYL-L-ALANYL]-L-NORVALINATE, 2-Amino-N-{2-[(3-{3-[bis(2-chloroethyl)amino]phenyl}-1-[(1-ethoxy-1-oxopentan-2-yl)imino]-1-hydroxypropan-2-yl)imino]-2-hydroxyethyl}-3-(4-fluorophenyl)propanimidic acid, ethyl 2-[[2-[[2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]acetyl]amino]-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanoate, Ethyl N-(3-(bis(2-chloroethyl)amino)-N-(N-(4-fluoro-3-phenyl-L-alanyl)glycyl)-3-phenyl-L-alanyl)-L-norvalinate
| Molecular Formula | C31H42Cl2FN5O5 |
|---|---|
| Molecular Weight | 653.25 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 653.2547 |
| Heavy Atoms | 44 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 32976-86-6 |
|---|---|
| SMILES | CCCC(C(=O)OCC)NC(=O)C(CC1=CC(=CC=C1)N(CCCl)CCCl)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)F)N |
| InChIKey | MCGIGMPPRWHWAP-UHFFFAOYSA-N |
Product Overview
Einecs 251-317-8 (CAS 32976-86-6), with molecular formula C31H42Cl2FN5O5 and molecular weight 653.25 g/mol. IUPAC: ethyl 2-[[2-[[2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]acetyl]amino]-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanoate.
Chemical Property Profile of Einecs 251-317-8
Property Insights of Einecs 251-317-8
The XLogP value of 4.3 indicates that Einecs 251-317-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Einecs 251-317-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 251-317-8 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 Einecs 251-317-8?
The CAS number of Einecs 251-317-8 is 32976-86-6.
What is the molecular formula of Einecs 251-317-8?
The molecular formula of Einecs 251-317-8 is C31H42Cl2FN5O5.
What is the molecular weight of Einecs 251-317-8?
The molecular weight of Einecs 251-317-8 is 653.25 g/mol.
Where can I buy Einecs 251-317-8?
You can request a quote for Einecs 251-317-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 251-317-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 251-317-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.