AB00101613-01
TL;DR: AB00101613-01 (CAS 347397-64-2) is a chemical compound with molecular formula C14H11BrN2O6 and molecular weight 381.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: AB00101613-01, {2-bromo-4-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid, 2-[2-bromo-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic Acid, (E)-2-(2-bromo-4-((1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-(2-BROMO-4-{[(5E)-1-METHYL-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}PHENOXY)ACETIC ACID
| Molecular Formula | C14H11BrN2O6 |
|---|---|
| Molecular Weight | 381.98 g/mol |
| LogP | 1.0041 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.98004 |
| Heavy Atoms | 23 |
| Complexity | 742.7831 |
Chemical Identifiers
| CAS Number | 347397-64-2 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC(=O)O)Br)/C(=O)NC1=O |
Product Overview
AB00101613-01 (CAS 347397-64-2), with molecular formula C14H11BrN2O6 and molecular weight 381.98 g/mol. IUPAC: 2-[2-bromo-4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of AB00101613-01
Property Insights of AB00101613-01
The XLogP value of 1.0041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00101613-01. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00101613-01. Following Lipinski's Rule of Five, AB00101613-01 has 2 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 AB00101613-01?
The CAS number of AB00101613-01 is 347397-64-2.
What is the molecular formula of AB00101613-01?
The molecular formula of AB00101613-01 is C14H11BrN2O6.
What is the molecular weight of AB00101613-01?
The molecular weight of AB00101613-01 is 381.98 g/mol.
Where can I buy AB00101613-01?
You can request a quote for AB00101613-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00101613-01?
Yes, KEHONG BIO provides custom synthesis services for AB00101613-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.