![n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine structure](/static/products/1744/17445-48-6.webp)
n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine
TL;DR: n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine (CAS 17445-48-6) is a chemical compound with molecular formula C29H29N3O5S and molecular weight 531.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Also Known As: n-[(benzyloxy)carbonyl]tryptophyl-s-benzylcysteine, 3-benzylsulfanyl-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
| Molecular Formula | C29H29N3O5S |
|---|---|
| Molecular Weight | 531.18 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 531.1828 |
| Heavy Atoms | 38 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 17445-48-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CSCC4=CC=CC=C4)C(=O)O |
| InChIKey | SQQKSKNZVZCELS-UHFFFAOYSA-N |
Product Overview
n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine (CAS 17445-48-6), with molecular formula C29H29N3O5S and molecular weight 531.18 g/mol. IUPAC: 3-benzylsulfanyl-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid.
Chemical Property Profile of n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine
Property Insights of n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine
The XLogP value of 4.9 indicates that n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine?
The CAS number of n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine is 17445-48-6.
What is the molecular formula of n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine?
The molecular formula of n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine is C29H29N3O5S.
What is the molecular weight of n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine?
The molecular weight of n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine is 531.18 g/mol.
Where can I buy n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine?
You can request a quote for n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine?
Yes, KEHONG BIO provides custom synthesis services for n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.