9-羧基甲氧基甲基鸟嘌呤
TL;DR: 9-羧基甲氧基甲基鸟嘌呤 (CAS 80685-22-9) is a chemical compound with molecular formula C13H12BrNO and molecular weight 277.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-羧基甲氧基甲基鸟嘌呤
2-[(4-bromoanilino)methyl]phenol
Also Known As: 2-{[(4-bromophenyl)amino]methyl}phenol, 2-[(4-bromoanilino)methyl]phenol, 2-(((4-Bromophenyl)amino)methyl)phenol, ChemDiv3_006335, AKOS AU36-M14
| Molecular Formula | C13H12BrNO |
|---|---|
| Molecular Weight | 277.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.01022 |
| Heavy Atoms | 16 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 80685-22-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC2=CC=C(C=C2)Br)O |
| InChIKey | HWQWIODTQXSLQY-UHFFFAOYSA-N |
Product Overview
9-羧基甲氧基甲基鸟嘌呤 (CAS 80685-22-9), with molecular formula C13H12BrNO and molecular weight 277.01 g/mol. IUPAC: 2-[(4-bromoanilino)methyl]phenol.
Chemical Property Profile of 9-羧基甲氧基甲基鸟嘌呤
Property Insights of 9-羧基甲氧基甲基鸟嘌呤
The XLogP value of 3.7 indicates that 9-羧基甲氧基甲基鸟嘌呤 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 9-羧基甲氧基甲基鸟嘌呤 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-羧基甲氧基甲基鸟嘌呤 has 2 hydrogen bond donor(s) and 2 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 9-羧基甲氧基甲基鸟嘌呤?
The CAS number of 9-羧基甲氧基甲基鸟嘌呤 is 80685-22-9.
What is the molecular formula of 9-羧基甲氧基甲基鸟嘌呤?
The molecular formula of 9-羧基甲氧基甲基鸟嘌呤 is C13H12BrNO.
What is the molecular weight of 9-羧基甲氧基甲基鸟嘌呤?
The molecular weight of 9-羧基甲氧基甲基鸟嘌呤 is 277.01 g/mol.
Where can I buy 9-羧基甲氧基甲基鸟嘌呤?
You can request a quote for 9-羧基甲氧基甲基鸟嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-羧基甲氧基甲基鸟嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 9-羧基甲氧基甲基鸟嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.