AB00864090-06
TL;DR: AB00864090-06 (CAS 1212439-72-9) is a chemical compound with molecular formula C28H30ClNO6 and molecular weight 511.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid
Also Known As: AB00864090-06, (1r,4r)-4-((2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)methyl)cyclohexanecarboxylic acid, 4-[[2-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid, trans-4-[({2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
| Molecular Formula | C28H30ClNO6 |
|---|---|
| Molecular Weight | 511.18 g/mol |
| LogP | 5.12012 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.17618 |
| Heavy Atoms | 36 |
| Complexity | 1311.1047 |
Chemical Identifiers
| CAS Number | 1212439-72-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3CCC(CC3)C(=O)O)CC4=CC=CC=C4 |
Product Overview
AB00864090-06 (CAS 1212439-72-9), with molecular formula C28H30ClNO6 and molecular weight 511.18 g/mol. IUPAC: 4-[[2-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of AB00864090-06
Property Insights of AB00864090-06
The XLogP value of 5.12012 indicates that AB00864090-06 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00864090-06. Following Lipinski's Rule of Five, AB00864090-06 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00864090-06?
The CAS number of AB00864090-06 is 1212439-72-9.
What is the molecular formula of AB00864090-06?
The molecular formula of AB00864090-06 is C28H30ClNO6.
What is the molecular weight of AB00864090-06?
The molecular weight of AB00864090-06 is 511.18 g/mol.
Where can I buy AB00864090-06?
You can request a quote for AB00864090-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00864090-06?
Yes, KEHONG BIO provides custom synthesis services for AB00864090-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.