![1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide structure](/static/products/6309/63095-82-9.webp)
1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide
TL;DR: 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide (CAS 63095-82-9) is a chemical compound with molecular formula C23H31N5O6 and molecular weight 473.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[1-[[3-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxoprop-1-en-2-yl]amino]-1-oxopropan-2-yl]carbamate
Also Known As: (S)-3-propylbutyrolactone, 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide, benzyl N-[1-[[3-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxoprop-1-en-2-yl]amino]-1-oxopropan-2-yl]carbamate, 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)prop-2-enoyl]prolyl-N-methylalaninamide, 1-[2-({N-[(Benzyloxy)carbonyl]-L-alanyl}amino)acryloyl]-L-prolyl-N(1)-methyl-L-alaninamide
| Molecular Formula | C23H31N5O6 |
|---|---|
| Molecular Weight | 473.23 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 473.22745 |
| Heavy Atoms | 34 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 63095-82-9 |
|---|---|
| SMILES | CC(C(=O)NC)NC(=O)C1CCCN1C(=O)C(=C)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | AQZMBUVOFXWOGU-UHFFFAOYSA-N |
Product Overview
1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide (CAS 63095-82-9), with molecular formula C23H31N5O6 and molecular weight 473.23 g/mol. IUPAC: benzyl N-[1-[[3-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxoprop-1-en-2-yl]amino]-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide
Property Insights of 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide. The TPSA of 146.0 Ų indicates high polarity, suggesting 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide has 4 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 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide?
The CAS number of 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide is 63095-82-9.
What is the molecular formula of 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide?
The molecular formula of 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide is C23H31N5O6.
What is the molecular weight of 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide?
The molecular weight of 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide is 473.23 g/mol.
Where can I buy 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide?
You can request a quote for 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-({N-[(Benzyloxy)carbonyl]alanyl}amino)acryloyl]prolyl-N-methylalaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.