threo-N-Boc-O-benzyl-serine epoxide
TL;DR: threo-N-Boc-O-benzyl-serine epoxide (CAS 91184-06-4) is a chemical compound with molecular formula C6H6N4OS and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
Also Known As: threo-N-Boc-O-benzyl-serine epoxide, 7-methyl-3-sulfanyl[1,2,4]triazolo[4,3-a]pyrimidin-5(8h)-one, 3-Mercapto-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5(8H)-one, 7-methyl-3-sulfanyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol, 7-methyl-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
| Molecular Formula | C6H6N4OS |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 0.38861 |
| Topological Polar Surface Area | 65.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.02623 |
| Heavy Atoms | 12 |
| Complexity | 534.20703 |
Chemical Identifiers
| CAS Number | 91184-06-4 |
|---|---|
| SMILES | CC1=CC(=O)N2C(=N1)NNC2=S |
Product Overview
threo-N-Boc-O-benzyl-serine epoxide (CAS 91184-06-4), with molecular formula C6H6N4OS and molecular weight 182.03 g/mol. IUPAC: 7-methyl-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
Chemical Property Profile of threo-N-Boc-O-benzyl-serine epoxide
Property Insights of threo-N-Boc-O-benzyl-serine epoxide
The XLogP value of 0.38861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for threo-N-Boc-O-benzyl-serine epoxide. The TPSA of 65.95 Ų falls within the moderate polarity range, balancing permeability and solubility for threo-N-Boc-O-benzyl-serine epoxide. Following Lipinski's Rule of Five, threo-N-Boc-O-benzyl-serine epoxide has 2 hydrogen bond donor(s) and 3 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 threo-N-Boc-O-benzyl-serine epoxide?
The CAS number of threo-N-Boc-O-benzyl-serine epoxide is 91184-06-4.
What is the molecular formula of threo-N-Boc-O-benzyl-serine epoxide?
The molecular formula of threo-N-Boc-O-benzyl-serine epoxide is C6H6N4OS.
What is the molecular weight of threo-N-Boc-O-benzyl-serine epoxide?
The molecular weight of threo-N-Boc-O-benzyl-serine epoxide is 182.03 g/mol.
Where can I buy threo-N-Boc-O-benzyl-serine epoxide?
You can request a quote for threo-N-Boc-O-benzyl-serine epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for threo-N-Boc-O-benzyl-serine epoxide?
Yes, KEHONG BIO provides custom synthesis services for threo-N-Boc-O-benzyl-serine epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.