AB00729780-01
TL;DR: AB00729780-01 (CAS 796077-98-0) is a chemical compound with molecular formula C17H15ClN2O3 and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(4-chlorophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
Also Known As: AB00729780-01, AB00729780-03, methyl 6-(4-chlorophenyl)-3-(propan-2-yl)[1,2]oxazolo[5,4-b]pyridine-4-carboxylate, methyl 6-(4-chlorophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
| Molecular Formula | C17H15ClN2O3 |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 4.4532 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.07712 |
| Heavy Atoms | 23 |
| Complexity | 869.4259 |
Chemical Identifiers
| CAS Number | 796077-98-0 |
|---|---|
| SMILES | CC(C)C1=NOC2=C1C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OC |
Product Overview
AB00729780-01 (CAS 796077-98-0), with molecular formula C17H15ClN2O3 and molecular weight 330.08 g/mol. IUPAC: methyl 6-(4-chlorophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
Chemical Property Profile of AB00729780-01
Property Insights of AB00729780-01
The XLogP value of 4.4532 indicates that AB00729780-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00729780-01. Following Lipinski's Rule of Five, AB00729780-01 has 0 hydrogen bond donor(s) and 5 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 AB00729780-01?
The CAS number of AB00729780-01 is 796077-98-0.
What is the molecular formula of AB00729780-01?
The molecular formula of AB00729780-01 is C17H15ClN2O3.
What is the molecular weight of AB00729780-01?
The molecular weight of AB00729780-01 is 330.08 g/mol.
Where can I buy AB00729780-01?
You can request a quote for AB00729780-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00729780-01?
Yes, KEHONG BIO provides custom synthesis services for AB00729780-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.