![Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- structure](/static/products/1308/13082-83-2.webp)
Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
TL;DR: Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- (CAS 13082-83-2) is a chemical compound with molecular formula C20H21BrN8O5 and molecular weight 532.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-bromo-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: 3-Bromomethotrexate, Monobromomethotrexate, 3'-Bromomethotrexate, Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- L-
| Molecular Formula | C20H21BrN8O5 |
|---|---|
| Molecular Weight | 532.08 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.08185 |
| Heavy Atoms | 34 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 13082-83-2 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)Br |
| InChIKey | RVHHUTDEYCUBRL-UHFFFAOYSA-N |
Product Overview
Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- (CAS 13082-83-2), with molecular formula C20H21BrN8O5 and molecular weight 532.08 g/mol. IUPAC: 2-[[3-bromo-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
Property Insights of Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
The XLogP value of -1.2 indicates that Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-?
The CAS number of Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- is 13082-83-2.
What is the molecular formula of Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-?
The molecular formula of Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- is C20H21BrN8O5.
What is the molecular weight of Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-?
The molecular weight of Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- is 532.08 g/mol.
Where can I buy Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-?
You can request a quote for Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-?
Yes, KEHONG BIO provides custom synthesis services for Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.