N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine
TL;DR: N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine (CAS 70703-17-2) is a chemical compound with molecular formula C26H21NO3S and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-(benzo[b]pyren-6-ylmethylsulfanyl)propanoic acid
Also Known As: N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine, n-acetyl-s-(benzo[pqr]tetraphen-6-ylmethyl)-l-cysteine, (2R)-2-acetamido-3-(benzo[b]pyren-6-ylmethylsulfanyl)propanoic acid, S-[(Benzo[pqr]tetraphen-6-yl)methyl]-N-(1-hydroxyethylidene)-L-cysteine, S-[(Benzo[pqr]tetraphen-6-yl)methyl]-N-(1-hydroxyethylidene)cysteine
| Molecular Formula | C26H21NO3S |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.1242 |
| Heavy Atoms | 31 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 70703-17-2 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51)C(=O)O |
| InChIKey | YDHHELJTLHXSPA-QHCPKHFHSA-N |
Product Overview
N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine (CAS 70703-17-2), with molecular formula C26H21NO3S and molecular weight 427.12 g/mol. IUPAC: (2R)-2-acetamido-3-(benzo[b]pyren-6-ylmethylsulfanyl)propanoic acid.
Chemical Property Profile of N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine
Property Insights of N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine
The XLogP value of 5.7 indicates that N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine. Following Lipinski's Rule of Five, N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine?
The CAS number of N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine is 70703-17-2.
What is the molecular formula of N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine?
The molecular formula of N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine is C26H21NO3S.
What is the molecular weight of N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine?
The molecular weight of N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine is 427.12 g/mol.
Where can I buy N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine?
You can request a quote for N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.