AN-465/41163801
TL;DR: AN-465/41163801 (CAS 445418-21-3) is a chemical compound with molecular formula C29H25N3O4S and molecular weight 511.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-hydroxy-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
Also Known As: AN-465/41163801, N-[4-hydroxy-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-N'-(3-methoxy-2-naphthoyl)thiourea, 3-methoxy-N-[[(3E)-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide, N-[[4-hydroxy-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide, 3-methoxy-N-[[4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide
| Molecular Formula | C29H25N3O4S |
|---|---|
| Molecular Weight | 511.16 g/mol |
| LogP | 6.6124 |
| Topological Polar Surface Area | 96.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.1566 |
| Heavy Atoms | 37 |
| Complexity | 1658.4387 |
Chemical Identifiers
| CAS Number | 445418-21-3 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC)O |
Product Overview
AN-465/41163801 (CAS 445418-21-3), with molecular formula C29H25N3O4S and molecular weight 511.16 g/mol. IUPAC: N-[[4-hydroxy-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide.
Chemical Property Profile of AN-465/41163801
Property Insights of AN-465/41163801
The XLogP value of 6.6124 indicates that AN-465/41163801 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/41163801. Following Lipinski's Rule of Five, AN-465/41163801 has 3 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 AN-465/41163801?
The CAS number of AN-465/41163801 is 445418-21-3.
What is the molecular formula of AN-465/41163801?
The molecular formula of AN-465/41163801 is C29H25N3O4S.
What is the molecular weight of AN-465/41163801?
The molecular weight of AN-465/41163801 is 511.16 g/mol.
Where can I buy AN-465/41163801?
You can request a quote for AN-465/41163801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41163801?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41163801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.