7-Hydroxydichloromethotrexate
TL;DR: 7-Hydroxydichloromethotrexate (CAS 751-75-7) is a chemical compound with molecular formula C20H20Cl2N8O6 and molecular weight 538.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[3,5-dichloro-4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: 7-Hydroxydichloromethotrexate, 7-Hdcm, (2S)-2-[[3,5-dichloro-4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid, (3,5-dichloro-4-(((2,4-diamino-7-oxo-1,7-dihydropteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamic acid, L-Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-1,7-dihydro-7-oxo-6-pteridinyl)methyl)methylamino)benzoyl)-
| Molecular Formula | C20H20Cl2N8O6 |
|---|---|
| Molecular Weight | 538.09 g/mol |
| LogP | 0.8685 |
| Topological Polar Surface Area | 230.51 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 538.08826 |
| Heavy Atoms | 36 |
| Complexity | 1406.3131 |
Chemical Identifiers
| CAS Number | 751-75-7 |
|---|---|
| SMILES | CN(CC1=NC2=C(N=C(N=C2NC1=O)N)N)C3=C(C=C(C=C3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl |
Product Overview
7-Hydroxydichloromethotrexate (CAS 751-75-7), with molecular formula C20H20Cl2N8O6 and molecular weight 538.09 g/mol. IUPAC: (2S)-2-[[3,5-dichloro-4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 7-Hydroxydichloromethotrexate
Property Insights of 7-Hydroxydichloromethotrexate
The XLogP value of 0.8685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxydichloromethotrexate. The TPSA of 230.51 Ų indicates high polarity, suggesting 7-Hydroxydichloromethotrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Hydroxydichloromethotrexate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Hydroxydichloromethotrexate?
The CAS number of 7-Hydroxydichloromethotrexate is 751-75-7.
What is the molecular formula of 7-Hydroxydichloromethotrexate?
The molecular formula of 7-Hydroxydichloromethotrexate is C20H20Cl2N8O6.
What is the molecular weight of 7-Hydroxydichloromethotrexate?
The molecular weight of 7-Hydroxydichloromethotrexate is 538.09 g/mol.
Where can I buy 7-Hydroxydichloromethotrexate?
You can request a quote for 7-Hydroxydichloromethotrexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxydichloromethotrexate?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxydichloromethotrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.