Boc-S-4-methoxybenzyl-L-penicillamine
TL;DR: Boc-S-4-methoxybenzyl-L-penicillamine (CAS 120944-75-4) is a chemical compound with molecular formula C18H27NO5S and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: Boc-Pen(Mob)-OH, Boc-S-4-methoxybenzyl-L-penicillamine, boc-d-pen(pmeobzl)-oh, Boc-Pen(MeOBzl)-OH, Boc-L-Pen(pMeOBzl)-OH
| Molecular Formula | C18H27NO5S |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 3.6849 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.16098 |
| Heavy Atoms | 25 |
| Complexity | 592.4791 |
Chemical Identifiers
| CAS Number | 120944-75-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)SCC1=CC=C(C=C1)OC |
Product Overview
Boc-S-4-methoxybenzyl-L-penicillamine (CAS 120944-75-4), with molecular formula C18H27NO5S and molecular weight 369.16 g/mol. IUPAC: (2R)-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of Boc-S-4-methoxybenzyl-L-penicillamine
Property Insights of Boc-S-4-methoxybenzyl-L-penicillamine
The XLogP value of 3.6849 indicates that Boc-S-4-methoxybenzyl-L-penicillamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-S-4-methoxybenzyl-L-penicillamine. Following Lipinski's Rule of Five, Boc-S-4-methoxybenzyl-L-penicillamine has 2 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 Boc-S-4-methoxybenzyl-L-penicillamine?
The CAS number of Boc-S-4-methoxybenzyl-L-penicillamine is 120944-75-4.
What is the molecular formula of Boc-S-4-methoxybenzyl-L-penicillamine?
The molecular formula of Boc-S-4-methoxybenzyl-L-penicillamine is C18H27NO5S.
What is the molecular weight of Boc-S-4-methoxybenzyl-L-penicillamine?
The molecular weight of Boc-S-4-methoxybenzyl-L-penicillamine is 369.16 g/mol.
Where can I buy Boc-S-4-methoxybenzyl-L-penicillamine?
You can request a quote for Boc-S-4-methoxybenzyl-L-penicillamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-S-4-methoxybenzyl-L-penicillamine?
Yes, KEHONG BIO provides custom synthesis services for Boc-S-4-methoxybenzyl-L-penicillamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.