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methyl N-[(benzyloxy)carbonyl]alanylmethioninate
TL;DR: methyl N-[(benzyloxy)carbonyl]alanylmethioninate (CAS 62188-81-2) is a chemical compound with molecular formula C17H24N2O5S and molecular weight 368.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
Also Known As: methyl N-[(benzyloxy)carbonyl]alanylmethioninate, methyl 2-(2-{[(benzyloxy)carbonyl]amino}propanamido)-4-(methylsulfanyl)butanoate, methyl 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate, methyl (2S)-2-[((2S)-2-{[(benzyloxy)carbonyl]amino}propanoyl)amino]-4-(methylthio)butanoate
| Molecular Formula | C17H24N2O5S |
|---|---|
| Molecular Weight | 368.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 368.1406 |
| Heavy Atoms | 25 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 62188-81-2 |
|---|---|
| SMILES | CC(C(=O)NC(CCSC)C(=O)OC)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | ACKAYWFFHOAUBO-UHFFFAOYSA-N |
Product Overview
methyl N-[(benzyloxy)carbonyl]alanylmethioninate (CAS 62188-81-2), with molecular formula C17H24N2O5S and molecular weight 368.14 g/mol. IUPAC: methyl 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate.
Chemical Property Profile of methyl N-[(benzyloxy)carbonyl]alanylmethioninate
Property Insights of methyl N-[(benzyloxy)carbonyl]alanylmethioninate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(benzyloxy)carbonyl]alanylmethioninate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(benzyloxy)carbonyl]alanylmethioninate. Following Lipinski's Rule of Five, methyl N-[(benzyloxy)carbonyl]alanylmethioninate has 2 hydrogen bond donor(s) and 6 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 methyl N-[(benzyloxy)carbonyl]alanylmethioninate?
The CAS number of methyl N-[(benzyloxy)carbonyl]alanylmethioninate is 62188-81-2.
What is the molecular formula of methyl N-[(benzyloxy)carbonyl]alanylmethioninate?
The molecular formula of methyl N-[(benzyloxy)carbonyl]alanylmethioninate is C17H24N2O5S.
What is the molecular weight of methyl N-[(benzyloxy)carbonyl]alanylmethioninate?
The molecular weight of methyl N-[(benzyloxy)carbonyl]alanylmethioninate is 368.14 g/mol.
Where can I buy methyl N-[(benzyloxy)carbonyl]alanylmethioninate?
You can request a quote for methyl N-[(benzyloxy)carbonyl]alanylmethioninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[(benzyloxy)carbonyl]alanylmethioninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(benzyloxy)carbonyl]alanylmethioninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.