Z-Asp(NH2)-Cys(CH2-Ph)-OMe
TL;DR: Z-Asp(NH2)-Cys(CH2-Ph)-OMe (CAS 20987-51-3) is a chemical compound with molecular formula C23H27N3O6S and molecular weight 473.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-benzylsulfanylpropanoate
Also Known As: Z-Asp(NH2)-Cys(CH2-Ph)-OMe, METHYL 3-BENZYLSULFANYL-2-[(3-CARBAMOYL-2-PHENYLMETHOXYCARBONYLAMINO-PROPANOYL)AMINO]PROPANOATE, Methyl N~2~-[(benzyloxy)carbonyl]asparaginyl-S-benzylcysteinate, methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-benzylsulfanylpropanoate
| Molecular Formula | C23H27N3O6S |
|---|---|
| Molecular Weight | 473.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 473.16205 |
| Heavy Atoms | 33 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 20987-51-3 |
|---|---|
| SMILES | COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | UXKXOAYJNUSFRF-UHFFFAOYSA-N |
Product Overview
Z-Asp(NH2)-Cys(CH2-Ph)-OMe (CAS 20987-51-3), with molecular formula C23H27N3O6S and molecular weight 473.16 g/mol. IUPAC: methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-benzylsulfanylpropanoate.
Chemical Property Profile of Z-Asp(NH2)-Cys(CH2-Ph)-OMe
Property Insights of Z-Asp(NH2)-Cys(CH2-Ph)-OMe
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Z-Asp(NH2)-Cys(CH2-Ph)-OMe. The TPSA of 162.0 Ų indicates high polarity, suggesting Z-Asp(NH2)-Cys(CH2-Ph)-OMe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Z-Asp(NH2)-Cys(CH2-Ph)-OMe has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Z-Asp(NH2)-Cys(CH2-Ph)-OMe?
The CAS number of Z-Asp(NH2)-Cys(CH2-Ph)-OMe is 20987-51-3.
What is the molecular formula of Z-Asp(NH2)-Cys(CH2-Ph)-OMe?
The molecular formula of Z-Asp(NH2)-Cys(CH2-Ph)-OMe is C23H27N3O6S.
What is the molecular weight of Z-Asp(NH2)-Cys(CH2-Ph)-OMe?
The molecular weight of Z-Asp(NH2)-Cys(CH2-Ph)-OMe is 473.16 g/mol.
Where can I buy Z-Asp(NH2)-Cys(CH2-Ph)-OMe?
You can request a quote for Z-Asp(NH2)-Cys(CH2-Ph)-OMe directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Z-Asp(NH2)-Cys(CH2-Ph)-OMe?
Yes, KEHONG BIO provides custom synthesis services for Z-Asp(NH2)-Cys(CH2-Ph)-OMe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.