ASN 05212232
TL;DR: ASN 05212232 (CAS 1032938-27-4) is a chemical compound with molecular formula C29H31N5O4 and molecular weight 513.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(benzotriazol-1-yl)acetyl]-[2-(3-methylbutylamino)-2-oxo-1-phenylethyl]amino]benzoate
Also Known As: ASN 05212232, Methyl 3-[[2-(1H-benzotriazol-1-yl)acetyl][2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl]amino]benzoate, Methyl 3-([(1H-benzotriazol-1-yl)acetyl]{2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl}amino)benzoate, methyl 3-[[2-(benzotriazol-1-yl)acetyl]-[2-(3-methylbutylamino)-2-oxo-1-phenylethyl]amino]benzoate
| Molecular Formula | C29H31N5O4 |
|---|---|
| Molecular Weight | 513.24 g/mol |
| LogP | 4.1547 |
| Topological Polar Surface Area | 106.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.2376 |
| Heavy Atoms | 38 |
| Complexity | 1416.783 |
Chemical Identifiers
| CAS Number | 1032938-27-4 |
|---|---|
| SMILES | CC(C)CCNC(=O)C(C1=CC=CC=C1)N(C2=CC=CC(=C2)C(=O)OC)C(=O)CN3C4=CC=CC=C4N=N3 |
Product Overview
ASN 05212232 (CAS 1032938-27-4), with molecular formula C29H31N5O4 and molecular weight 513.24 g/mol. IUPAC: methyl 3-[[2-(benzotriazol-1-yl)acetyl]-[2-(3-methylbutylamino)-2-oxo-1-phenylethyl]amino]benzoate.
Chemical Property Profile of ASN 05212232
Property Insights of ASN 05212232
The XLogP value of 4.1547 indicates that ASN 05212232 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 05212232. Following Lipinski's Rule of Five, ASN 05212232 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ASN 05212232?
The CAS number of ASN 05212232 is 1032938-27-4.
What is the molecular formula of ASN 05212232?
The molecular formula of ASN 05212232 is C29H31N5O4.
What is the molecular weight of ASN 05212232?
The molecular weight of ASN 05212232 is 513.24 g/mol.
Where can I buy ASN 05212232?
You can request a quote for ASN 05212232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 05212232?
Yes, KEHONG BIO provides custom synthesis services for ASN 05212232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.