AN-989/13874011
TL;DR: AN-989/13874011 (CAS 6354-28-5) is a chemical compound with molecular formula C16H9ClN2O6 and molecular weight 360.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: AN-989/13874011, 4-chloro-3-{5-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid, 4-chloro-3-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid, 4-CHLORO-3-{5-[(2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID, 4-chloro-3-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-furyl]benzoic Acid
| Molecular Formula | C16H9ClN2O6 |
|---|---|
| Molecular Weight | 360.01 g/mol |
| LogP | 2.0476 |
| Topological Polar Surface Area | 125.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.01492 |
| Heavy Atoms | 25 |
| Complexity | 937.2846 |
Chemical Identifiers
| CAS Number | 6354-28-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O)Cl |
Product Overview
AN-989/13874011 (CAS 6354-28-5), with molecular formula C16H9ClN2O6 and molecular weight 360.01 g/mol. IUPAC: 4-chloro-3-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of AN-989/13874011
Property Insights of AN-989/13874011
The XLogP value of 2.0476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-989/13874011. The TPSA of 125.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/13874011. Following Lipinski's Rule of Five, AN-989/13874011 has 3 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 AN-989/13874011?
The CAS number of AN-989/13874011 is 6354-28-5.
What is the molecular formula of AN-989/13874011?
The molecular formula of AN-989/13874011 is C16H9ClN2O6.
What is the molecular weight of AN-989/13874011?
The molecular weight of AN-989/13874011 is 360.01 g/mol.
Where can I buy AN-989/13874011?
You can request a quote for AN-989/13874011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/13874011?
Yes, KEHONG BIO provides custom synthesis services for AN-989/13874011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.