Ethyl N-(phenylmethanesulfonyl)methionylmethioninate
TL;DR: Ethyl N-(phenylmethanesulfonyl)methionylmethioninate (CAS 7469-36-5) is a chemical compound with molecular formula C19H30N2O5S3 and molecular weight 462.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(benzylsulfonylamino)-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoate
Also Known As: Ethyl N-(phenylmethanesulfonyl)methionylmethioninate, ethyl 2-[[2-(benzylsulfonylamino)-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoate
| Molecular Formula | C19H30N2O5S3 |
|---|---|
| Molecular Weight | 462.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 462.13168 |
| Heavy Atoms | 29 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 7469-36-5 |
|---|---|
| SMILES | CCOC(=O)C(CCSC)NC(=O)C(CCSC)NS(=O)(=O)CC1=CC=CC=C1 |
| InChIKey | LGHJDZOAVDCOSV-UHFFFAOYSA-N |
Product Overview
Ethyl N-(phenylmethanesulfonyl)methionylmethioninate (CAS 7469-36-5), with molecular formula C19H30N2O5S3 and molecular weight 462.13 g/mol. IUPAC: ethyl 2-[[2-(benzylsulfonylamino)-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoate.
Chemical Property Profile of Ethyl N-(phenylmethanesulfonyl)methionylmethioninate
Property Insights of Ethyl N-(phenylmethanesulfonyl)methionylmethioninate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-(phenylmethanesulfonyl)methionylmethioninate. The TPSA of 161.0 Ų indicates high polarity, suggesting Ethyl N-(phenylmethanesulfonyl)methionylmethioninate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl N-(phenylmethanesulfonyl)methionylmethioninate has 2 hydrogen bond donor(s) and 8 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 Ethyl N-(phenylmethanesulfonyl)methionylmethioninate?
The CAS number of Ethyl N-(phenylmethanesulfonyl)methionylmethioninate is 7469-36-5.
What is the molecular formula of Ethyl N-(phenylmethanesulfonyl)methionylmethioninate?
The molecular formula of Ethyl N-(phenylmethanesulfonyl)methionylmethioninate is C19H30N2O5S3.
What is the molecular weight of Ethyl N-(phenylmethanesulfonyl)methionylmethioninate?
The molecular weight of Ethyl N-(phenylmethanesulfonyl)methionylmethioninate is 462.13 g/mol.
Where can I buy Ethyl N-(phenylmethanesulfonyl)methionylmethioninate?
You can request a quote for Ethyl N-(phenylmethanesulfonyl)methionylmethioninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(phenylmethanesulfonyl)methionylmethioninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(phenylmethanesulfonyl)methionylmethioninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.