三十一碳烯酸
TL;DR: 三十一碳烯酸 (CAS 127997-06-2) is a chemical compound with molecular formula C15H23NO6 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三十一碳烯酸
tert-butyl (4R)-4-[(R)-hydroxy-[(2S)-5-oxo-2H-furan-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Also Known As: Hentriacontenoic acid, 3-Oxazolidinecarboxylic acid, 4-((2,5-dihydro-5-oxo-2-furanyl)hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R-(4R*(R*(S*))))-, 3-Oxazolidinecarboxylicacid, 4-[(2,5-dihydro-5-oxo-2-furanyl)hydroxymethyl]-2,2-dimethyl-,1,1-dimethylethyl ester, [4R-[4R*[R*(S*)]]]- (9CI), 6,7-N,O-Isopropylidene-6-[(tert-butoxycarbonyl)amino]-2,3,6-trideoxy-D-ribo-hept-2-enono-1,4-lactone, tert-butyl (4R)-4-[(R)-hydroxy-[(2S)-5-oxo-2H-furan-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
| Molecular Formula | C15H23NO6 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.15253 |
| Heavy Atoms | 22 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 127997-06-2 |
|---|---|
| SMILES | CC1(N([C@H](CO1)[C@H]([C@@H]2C=CC(=O)O2)O)C(=O)OC(C)(C)C)C |
| InChIKey | XLXUOUVMYCUWGG-JFGNBEQYSA-N |
Product Overview
三十一碳烯酸 (CAS 127997-06-2), with molecular formula C15H23NO6 and molecular weight 313.15 g/mol. IUPAC: tert-butyl (4R)-4-[(R)-hydroxy-[(2S)-5-oxo-2H-furan-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
Chemical Property Profile of 三十一碳烯酸
Property Insights of 三十一碳烯酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三十一碳烯酸. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 三十一碳烯酸. Following Lipinski's Rule of Five, 三十一碳烯酸 has 1 hydrogen bond donor(s) and 6 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 三十一碳烯酸?
The CAS number of 三十一碳烯酸 is 127997-06-2.
What is the molecular formula of 三十一碳烯酸?
The molecular formula of 三十一碳烯酸 is C15H23NO6.
What is the molecular weight of 三十一碳烯酸?
The molecular weight of 三十一碳烯酸 is 313.15 g/mol.
Where can I buy 三十一碳烯酸?
You can request a quote for 三十一碳烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三十一碳烯酸?
Yes, KEHONG BIO provides custom synthesis services for 三十一碳烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.