NCIOpen2_008765
TL;DR: NCIOpen2_008765 (CAS 7252-71-3) is a chemical compound with molecular formula C12H17NO6S and molecular weight 303.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methylamino]-4-methylsulfanylbutanoic acid
Also Known As: NCIOpen2_008765, 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methylamino], 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methylamino]-4-methylsulfanylbutanoic acid, N-{[3-Hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}methionine
| Molecular Formula | C12H17NO6S |
|---|---|
| Molecular Weight | 303.08 g/mol |
| LogP | 0.1336 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 303.07767 |
| Heavy Atoms | 20 |
| Complexity | 515.1593 |
Chemical Identifiers
| CAS Number | 7252-71-3 |
|---|---|
| SMILES | CSCCC(C(=O)O)NCC1=C(C(=O)C=C(O1)CO)O |
Product Overview
NCIOpen2_008765 (CAS 7252-71-3), with molecular formula C12H17NO6S and molecular weight 303.08 g/mol. IUPAC: 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methylamino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of NCIOpen2_008765
Property Insights of NCIOpen2_008765
The XLogP value of 0.1336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_008765. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_008765. Following Lipinski's Rule of Five, NCIOpen2_008765 has 4 hydrogen bond donor(s) and 7 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 NCIOpen2_008765?
The CAS number of NCIOpen2_008765 is 7252-71-3.
What is the molecular formula of NCIOpen2_008765?
The molecular formula of NCIOpen2_008765 is C12H17NO6S.
What is the molecular weight of NCIOpen2_008765?
The molecular weight of NCIOpen2_008765 is 303.08 g/mol.
Where can I buy NCIOpen2_008765?
You can request a quote for NCIOpen2_008765 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008765?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008765 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.