甲氧苄啶
TL;DR: 甲氧苄啶 (CAS 738-70-5) is a chemical compound with molecular formula C14H18N4O3 and molecular weight 290.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲氧苄啶
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Also Known As: trimethoprim, Proloprim, Trimpex, Trimetoprim, Monotrim
| Molecular Formula | C14H18N4O3 |
|---|---|
| Molecular Weight | 290.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.13788 |
| Heavy Atoms | 21 |
| Complexity | 307.0 |
| Melting Point | 390 to 202.8 °C |
| Solubility | less than 1 mg/mL at 75 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 738-70-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N |
| InChIKey | IEDVJHCEMCRBQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲氧苄啶 (CAS 738-70-5), with molecular formula C14H18N4O3 and molecular weight 290.14 g/mol. IUPAC: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of 甲氧苄啶
Property Insights of 甲氧苄啶
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲氧苄啶. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲氧苄啶. Following Lipinski's Rule of Five, 甲氧苄啶 has 2 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 甲氧苄啶?
The CAS number of 甲氧苄啶 is 738-70-5.
What is the molecular formula of 甲氧苄啶?
The molecular formula of 甲氧苄啶 is C14H18N4O3.
What is the molecular weight of 甲氧苄啶?
The molecular weight of 甲氧苄啶 is 290.14 g/mol.
Where can I buy 甲氧苄啶?
You can request a quote for 甲氧苄啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲氧苄啶?
Yes, KEHONG BIO provides custom synthesis services for 甲氧苄啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.