5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin
TL;DR: 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin (CAS 103003-96-9) is a chemical compound with molecular formula C22H26N6O5 and molecular weight 454.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-(1,3-diamino-5,6,6a,7,8,9-hexahydropyrimido[5,4-e]indolizin-8-yl)benzoyl]amino]pentanedioic acid
Also Known As: Mthdaz, 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin, (2S)-2-[[4-(1,3-diamino-5,6,6a,7,8,9-hexahydropyrimido[5,4-e]indolizin-8-yl)benzoyl]amino]pentanedioic acid, N-(4-(1,3-Diamino-5,6,6a,7,8,9-hexahydropyrimido(5,4-e)indolizin-8-yl)benzoyl)-L-glutamic acid, L-Glutamic acid, N-(4-(1,3-diamino-5,6,6a,7,8,9-hexahydropyrimido(5,4-e)indolizin-8-yl)benzoyl)-
| Molecular Formula | C22H26N6O5 |
|---|---|
| Molecular Weight | 454.20 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.19647 |
| Heavy Atoms | 33 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 103003-96-9 |
|---|---|
| SMILES | C1CC2=C(C(=NC(=N2)N)N)N3C1CC(C3)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | LCGIJUUGFUFBDH-XUJLQICISA-N |
Product Overview
5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin (CAS 103003-96-9), with molecular formula C22H26N6O5 and molecular weight 454.20 g/mol. IUPAC: (2S)-2-[[4-(1,3-diamino-5,6,6a,7,8,9-hexahydropyrimido[5,4-e]indolizin-8-yl)benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin
Property Insights of 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin. The TPSA of 185.0 Ų indicates high polarity, suggesting 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin has 5 hydrogen bond donor(s) and 10 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-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin?
The CAS number of 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin is 103003-96-9.
What is the molecular formula of 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin?
The molecular formula of 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin is C22H26N6O5.
What is the molecular weight of 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin?
The molecular weight of 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin is 454.20 g/mol.
Where can I buy 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin?
You can request a quote for 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 5,10-Methylene-5,6,7,8-tetrahydro-8,10-dideazaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.