A3873/0164593
TL;DR: A3873/0164593 (CAS 728032-13-1) is a chemical compound with molecular formula C17H13BrN4O5 and molecular weight 432.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]tetrazol-5-yl]phenoxy]acetic acid
Also Known As: A3873/0164593, (4-{2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2H-tetrazol-5-yl}phenoxy)acetic acid, 2-(4-(2-((6-bromobenzo[d][1,3]dioxol-5-yl)methyl)-2H-tetrazol-5-yl)phenoxy)acetic acid, 2-[4-[2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]tetrazol-5-yl]phenoxy]acetic acid, 2-(4-{2-[(6-BROMO-1,3-BENZODIOXOL-5-YL)METHYL]-2H-1,2,3,4-TETRAAZOL-5-YL}PHENOXY)ACETIC ACID
| Molecular Formula | C17H13BrN4O5 |
|---|---|
| Molecular Weight | 432.01 g/mol |
| LogP | 2.343 |
| Topological Polar Surface Area | 108.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.00693 |
| Heavy Atoms | 27 |
| Complexity | 989.4889 |
Chemical Identifiers
| CAS Number | 728032-13-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CN3N=C(N=N3)C4=CC=C(C=C4)OCC(=O)O)Br |
Product Overview
A3873/0164593 (CAS 728032-13-1), with molecular formula C17H13BrN4O5 and molecular weight 432.01 g/mol. IUPAC: 2-[4-[2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]tetrazol-5-yl]phenoxy]acetic acid.
Chemical Property Profile of A3873/0164593
Property Insights of A3873/0164593
The XLogP value of 2.343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3873/0164593. The TPSA of 108.59 Ų falls within the moderate polarity range, balancing permeability and solubility for A3873/0164593. Following Lipinski's Rule of Five, A3873/0164593 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 A3873/0164593?
The CAS number of A3873/0164593 is 728032-13-1.
What is the molecular formula of A3873/0164593?
The molecular formula of A3873/0164593 is C17H13BrN4O5.
What is the molecular weight of A3873/0164593?
The molecular weight of A3873/0164593 is 432.01 g/mol.
Where can I buy A3873/0164593?
You can request a quote for A3873/0164593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3873/0164593?
Yes, KEHONG BIO provides custom synthesis services for A3873/0164593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.