(S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid
TL;DR: (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid (CAS 110594-53-1) is a chemical compound with molecular formula C20H31N5O5 and molecular weight 421.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-(diaminomethylideneamino)-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid
Also Known As: (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid, (2S)-5-(diaminomethylideneamino)-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid
| Molecular Formula | C20H31N5O5 |
|---|---|
| Molecular Weight | 421.23 g/mol |
| LogP | 0.9505 |
| Topological Polar Surface Area | 169.13 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 421.2325 |
| Heavy Atoms | 30 |
| Complexity | 719.5572 |
Chemical Identifiers
| CAS Number | 110594-53-1 |
|---|---|
| SMILES | CC(C)C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)OCC1=CC=CC=C1 |
Product Overview
(S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid (CAS 110594-53-1), with molecular formula C20H31N5O5 and molecular weight 421.23 g/mol. IUPAC: (2S)-5-(diaminomethylideneamino)-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid.
Chemical Property Profile of (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid
Property Insights of (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid
The XLogP value of 0.9505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid. The TPSA of 169.13 Ų indicates high polarity, suggesting (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid has 5 hydrogen bond donor(s) and 5 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 (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid?
The CAS number of (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid is 110594-53-1.
What is the molecular formula of (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid?
The molecular formula of (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid is C20H31N5O5.
What is the molecular weight of (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid?
The molecular weight of (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid is 421.23 g/mol.
Where can I buy (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid?
You can request a quote for (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-((R)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.