BAPP-trimethoprim
TL;DR: BAPP-trimethoprim (CAS 78025-83-9) is a chemical compound with molecular formula C21H23Br2N5O4 and molecular weight 567.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]phenyl]acetamide;hydrobromide
Also Known As: Bapp-trimethoprim, 2,4-Diamino-5-((3,5-dimethoxy-4-(4-bromoacetamidophenoxy)benzyl)pyrimidine), 2-bromo-N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]phenyl]acetamide;hydrobromide, 2-Bromo-N-(4-{4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy}phenyl)acetamide--hydrogen bromide (1/1), 2-bromo-N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]phenyl]acetamide hydrobromide
| Molecular Formula | C21H23Br2N5O4 |
|---|---|
| Molecular Weight | 567.01 g/mol |
| LogP | 3.95 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 569.00964 |
| Heavy Atoms | 32 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 78025-83-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC2=CC=C(C=C2)NC(=O)CBr)OC)CC3=CN=C(N=C3N)N.Br |
| InChIKey | LSKHELMGYVZMCN-UHFFFAOYSA-N |
Product Overview
BAPP-trimethoprim (CAS 78025-83-9), with molecular formula C21H23Br2N5O4 and molecular weight 567.01 g/mol. IUPAC: 2-bromo-N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]phenyl]acetamide;hydrobromide.
Chemical Property Profile of BAPP-trimethoprim
Property Insights of BAPP-trimethoprim
The XLogP value of 3.95 indicates that BAPP-trimethoprim is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAPP-trimethoprim. Following Lipinski's Rule of Five, BAPP-trimethoprim has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAPP-trimethoprim?
The CAS number of BAPP-trimethoprim is 78025-83-9.
What is the molecular formula of BAPP-trimethoprim?
The molecular formula of BAPP-trimethoprim is C21H23Br2N5O4.
What is the molecular weight of BAPP-trimethoprim?
The molecular weight of BAPP-trimethoprim is 567.01 g/mol.
Where can I buy BAPP-trimethoprim?
You can request a quote for BAPP-trimethoprim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAPP-trimethoprim?
Yes, KEHONG BIO provides custom synthesis services for BAPP-trimethoprim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.