AN-655/40687994
TL;DR: AN-655/40687994 (CAS 486994-93-8) is a chemical compound with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-methoxy-6-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenoxy]acetic acid
Also Known As: AN-655/40687994, {2-methoxy-6-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenoxy}acetic acid, {2-methoxy-6-[2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenoxy}acetic acid, 2-(2-methoxy-6-(2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)phenoxy)acetic acid, 2-[2-methoxy-6-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenoxy]acetic acid
| Molecular Formula | C23H20N2O5S |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 4.4624 |
| Topological Polar Surface Area | 80.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.10928 |
| Heavy Atoms | 31 |
| Complexity | 1144.6284 |
Chemical Identifiers
| CAS Number | 486994-93-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1OCC(=O)O)C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2 |
Product Overview
AN-655/40687994 (CAS 486994-93-8), with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol. IUPAC: 2-[2-methoxy-6-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenoxy]acetic acid.
Chemical Property Profile of AN-655/40687994
Property Insights of AN-655/40687994
The XLogP value of 4.4624 indicates that AN-655/40687994 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/40687994. Following Lipinski's Rule of Five, AN-655/40687994 has 1 hydrogen bond donor(s) and 7 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 AN-655/40687994?
The CAS number of AN-655/40687994 is 486994-93-8.
What is the molecular formula of AN-655/40687994?
The molecular formula of AN-655/40687994 is C23H20N2O5S.
What is the molecular weight of AN-655/40687994?
The molecular weight of AN-655/40687994 is 436.11 g/mol.
Where can I buy AN-655/40687994?
You can request a quote for AN-655/40687994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/40687994?
Yes, KEHONG BIO provides custom synthesis services for AN-655/40687994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.