5,10-亚甲基四氢叶酸
TL;DR: 5,10-亚甲基四氢叶酸 (CAS 3432-99-3) is a chemical compound with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,10-亚甲基四氢叶酸
methyl N-[1-(hexylcarbamoyl)benzimidazol-2-yl]carbamate
Also Known As: m-Fluorpentylbenzol, methyl-1-(hexylcarbamoyl)-2-benzimidazolecarbamate, methyl[1-(hexylcarbamoyl)-1h-benzimidazol-2-yl]carbamate, 2-Benzimidazolecarbamic acid, 1-(hexylcarbamoyl)-, methyl ester, Methyl (1-(hexylcarbamoyl)-1H-benzo[d]imidazol-2-yl)carbamate
| Molecular Formula | C16H22N4O3 |
|---|---|
| Molecular Weight | 318.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.1692 |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 3432-99-3 |
|---|---|
| SMILES | CCCCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC |
| InChIKey | MRZDHSFVACFWSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,10-亚甲基四氢叶酸 (CAS 3432-99-3), with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol. IUPAC: methyl N-[1-(hexylcarbamoyl)benzimidazol-2-yl]carbamate.
Chemical Property Profile of 5,10-亚甲基四氢叶酸
Property Insights of 5,10-亚甲基四氢叶酸
The XLogP value of 3.2 indicates that 5,10-亚甲基四氢叶酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,10-亚甲基四氢叶酸. Following Lipinski's Rule of Five, 5,10-亚甲基四氢叶酸 has 2 hydrogen bond donor(s) and 4 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 5,10-亚甲基四氢叶酸?
The CAS number of 5,10-亚甲基四氢叶酸 is 3432-99-3.
What is the molecular formula of 5,10-亚甲基四氢叶酸?
The molecular formula of 5,10-亚甲基四氢叶酸 is C16H22N4O3.
What is the molecular weight of 5,10-亚甲基四氢叶酸?
The molecular weight of 5,10-亚甲基四氢叶酸 is 318.17 g/mol.
Where can I buy 5,10-亚甲基四氢叶酸?
You can request a quote for 5,10-亚甲基四氢叶酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,10-亚甲基四氢叶酸?
Yes, KEHONG BIO provides custom synthesis services for 5,10-亚甲基四氢叶酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.