methotrexate-N,N'-bis(decylamide)
TL;DR: methotrexate-N,N'-bis(decylamide) (CAS 136181-93-6) is a chemical compound with molecular formula C40H64N10O3 and molecular weight 732.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N,N'-didecyl-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanediamide
Also Known As: Mtx bis(decylamide), Methotrexate-N,N'-bis(decylamide), J1.002.307F, (S)-N,N'-Didecyl-2-((4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)amino)pentanediamide, (2S)-N,N'-didecyl-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanediamide
| Molecular Formula | C40H64N10O3 |
|---|---|
| Molecular Weight | 732.52 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 27 |
| Exact Mass | 732.5163 |
| Heavy Atoms | 53 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 136181-93-6 |
|---|---|
| SMILES | CCCCCCCCCCNC(=O)CC[C@@H](C(=O)NCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | JHUNGZQPXRVEDL-XIFFEERXSA-N |
Product Overview
methotrexate-N,N'-bis(decylamide) (CAS 136181-93-6), with molecular formula C40H64N10O3 and molecular weight 732.52 g/mol. IUPAC: (2S)-N,N'-didecyl-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanediamide.
Chemical Property Profile of methotrexate-N,N'-bis(decylamide)
Property Insights of methotrexate-N,N'-bis(decylamide)
The XLogP value of 6.7 indicates that methotrexate-N,N'-bis(decylamide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.0 Ų indicates high polarity, suggesting methotrexate-N,N'-bis(decylamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methotrexate-N,N'-bis(decylamide) has 5 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 methotrexate-N,N'-bis(decylamide)?
The CAS number of methotrexate-N,N'-bis(decylamide) is 136181-93-6.
What is the molecular formula of methotrexate-N,N'-bis(decylamide)?
The molecular formula of methotrexate-N,N'-bis(decylamide) is C40H64N10O3.
What is the molecular weight of methotrexate-N,N'-bis(decylamide)?
The molecular weight of methotrexate-N,N'-bis(decylamide) is 732.52 g/mol.
Where can I buy methotrexate-N,N'-bis(decylamide)?
You can request a quote for methotrexate-N,N'-bis(decylamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methotrexate-N,N'-bis(decylamide)?
Yes, KEHONG BIO provides custom synthesis services for methotrexate-N,N'-bis(decylamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.