N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid
TL;DR: N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid (CAS 1141-39-5) is a chemical compound with molecular formula C18H22N8O4S and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propane-1-sulfonic acid
Also Known As: NCI60_034435, N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid, 1-propanesulfonic acid, 3-[[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]amino]-, 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propane-1-sulfonic acid, 3-[N-(4-Amino-4-deoxy-N10-methylpteroyl)amino]propane-sulfonic acid
| Molecular Formula | C18H22N8O4S |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.14847 |
| Heavy Atoms | 31 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 1141-39-5 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCCS(=O)(=O)O |
| InChIKey | ZWNOUWBCPHEYMA-UHFFFAOYSA-N |
Product Overview
N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid (CAS 1141-39-5), with molecular formula C18H22N8O4S and molecular weight 446.15 g/mol. IUPAC: 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propane-1-sulfonic acid.
Chemical Property Profile of N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid
Property Insights of N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid
The XLogP value of -2.1 indicates that N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.0 Ų indicates high polarity, suggesting N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid?
The CAS number of N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid is 1141-39-5.
What is the molecular formula of N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid?
The molecular formula of N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid is C18H22N8O4S.
What is the molecular weight of N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid?
The molecular weight of N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid is 446.15 g/mol.
Where can I buy N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid?
You can request a quote for N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.