Boc-L-thiocitrulline-otbu
TL;DR: Boc-L-thiocitrulline-otbu (CAS 133565-49-8) is a chemical compound with molecular formula C15H29N3O4S and molecular weight 347.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-5-(carbamothioylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Also Known As: BOC-L-THIOCITRULLINE-OTBU, Boc-ThioCit-OtBu, Boc-L-thiocitrulline t-butyl ester, Boc-L-thiocitrulline tert-Butyl Ester, (S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-5-thioureidopentanoate
| Molecular Formula | C15H29N3O4S |
|---|---|
| Molecular Weight | 347.19 g/mol |
| LogP | 1.8348 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.18787 |
| Heavy Atoms | 23 |
| Complexity | 427.41837 |
Chemical Identifiers
| CAS Number | 133565-49-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)[C@H](CCCNC(=S)N)NC(=O)OC(C)(C)C |
Product Overview
Boc-L-thiocitrulline-otbu (CAS 133565-49-8), with molecular formula C15H29N3O4S and molecular weight 347.19 g/mol. IUPAC: tert-butyl (2S)-5-(carbamothioylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
Chemical Property Profile of Boc-L-thiocitrulline-otbu
Property Insights of Boc-L-thiocitrulline-otbu
The XLogP value of 1.8348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-L-thiocitrulline-otbu. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-L-thiocitrulline-otbu. Following Lipinski's Rule of Five, Boc-L-thiocitrulline-otbu has 3 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-L-thiocitrulline-otbu?
The CAS number of Boc-L-thiocitrulline-otbu is 133565-49-8.
What is the molecular formula of Boc-L-thiocitrulline-otbu?
The molecular formula of Boc-L-thiocitrulline-otbu is C15H29N3O4S.
What is the molecular weight of Boc-L-thiocitrulline-otbu?
The molecular weight of Boc-L-thiocitrulline-otbu is 347.19 g/mol.
Where can I buy Boc-L-thiocitrulline-otbu?
You can request a quote for Boc-L-thiocitrulline-otbu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-L-thiocitrulline-otbu?
Yes, KEHONG BIO provides custom synthesis services for Boc-L-thiocitrulline-otbu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.