(2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate
TL;DR: (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate (CAS 958965-76-9) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoate
Also Known As: (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate, methyl (2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoate
| Molecular Formula | C16H24N2O4 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 308.1736 |
| Heavy Atoms | 22 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 958965-76-9 |
|---|---|
| SMILES | CCC(C)[C@@H](C(=O)OC)NC(=O)NCC1=CC(=CC=C1)OC |
| InChIKey | CNWMWEBFBACSHP-IAXJKZSUSA-N |
Product Overview
(2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate (CAS 958965-76-9), with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol. IUPAC: methyl (2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoate.
Chemical Property Profile of (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate
Property Insights of (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate. Following Lipinski's Rule of Five, (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate has 2 hydrogen bond donor(s) and 4 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 (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate?
The CAS number of (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate is 958965-76-9.
What is the molecular formula of (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate?
The molecular formula of (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate is C16H24N2O4.
What is the molecular weight of (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate?
The molecular weight of (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate is 308.17 g/mol.
Where can I buy (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate?
You can request a quote for (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R)-methyl 2-(3-(3-methoxybenzyl)ureido)-3-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.