KST-1A0642
TL;DR: KST-1A0642 (CAS 113731-92-3) is a chemical compound with molecular formula C16H22O6 and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-2-methyl-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
Also Known As: KST-1A0642, [(1r,4ar,8s,8ar)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-2-methyl-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid, 1-Naphthaleneacetic acid, 1,4,4a,5,8,8a-hexahydro-8-hydroxy-7-methoxy-8a-(methoxymethyl)-2-methyl-5-oxo-, (1alpha,4aalpha,8beta,8abeta)-, [8-Hydroxy-7-methoxy-8a-(methoxymethyl)-2-methyl-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid, 1-Naphthaleneaceticacid,1,4,4a,5,8,8a-hexahydro-8-hydroxy-7-methoxy-8a-(methoxymethyl)-2-methyl-5-oxo-,(1a,4aa,8b,8ab)- (9CI)
| Molecular Formula | C16H22O6 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.14163 |
| Heavy Atoms | 22 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 113731-92-3 |
|---|---|
| SMILES | CC1=CC[C@H]2C(=O)C=C([C@H]([C@@]2([C@@H]1CC(=O)O)COC)O)OC |
| InChIKey | LGJXBLLAGXPSPK-TZCMFKBTSA-N |
Product Overview
KST-1A0642 (CAS 113731-92-3), with molecular formula C16H22O6 and molecular weight 310.14 g/mol. IUPAC: 2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-2-methyl-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid.
Chemical Property Profile of KST-1A0642
Property Insights of KST-1A0642
The XLogP value of -0.5 indicates that KST-1A0642 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0642. Following Lipinski's Rule of Five, KST-1A0642 has 2 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 KST-1A0642?
The CAS number of KST-1A0642 is 113731-92-3.
What is the molecular formula of KST-1A0642?
The molecular formula of KST-1A0642 is C16H22O6.
What is the molecular weight of KST-1A0642?
The molecular weight of KST-1A0642 is 310.14 g/mol.
Where can I buy KST-1A0642?
You can request a quote for KST-1A0642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0642?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.