Tomaymycin methyl ether
TL;DR: Tomaymycin methyl ether (CAS 28797-44-6) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8Z)-8-ethylidene-2,3,6-trimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: Tomaymycin methyl ether, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-2-ethylidene-7,8,11-trimethoxy-, (8Z)-8-ethylidene-2,3,6-trimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one, 2-Ethylidene-1,2,3,10,11,11a-hexahydro-7,8,11-trimethoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5-ethylidene-8,12,13-trimethoxy-3,9-diazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-2-one
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 2.2626 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 656.2386 |
Chemical Identifiers
| CAS Number | 28797-44-6 |
|---|---|
| SMILES | C/C=C\1/CC2C(NC3=CC(=C(C=C3C(=O)N2C1)OC)OC)OC |
Product Overview
Tomaymycin methyl ether (CAS 28797-44-6), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: (8Z)-8-ethylidene-2,3,6-trimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of Tomaymycin methyl ether
Property Insights of Tomaymycin methyl ether
The XLogP value of 2.2626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tomaymycin methyl ether. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Tomaymycin methyl ether. Following Lipinski's Rule of Five, Tomaymycin methyl ether has 1 hydrogen bond donor(s) and 5 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 Tomaymycin methyl ether?
The CAS number of Tomaymycin methyl ether is 28797-44-6.
What is the molecular formula of Tomaymycin methyl ether?
The molecular formula of Tomaymycin methyl ether is C17H22N2O4.
What is the molecular weight of Tomaymycin methyl ether?
The molecular weight of Tomaymycin methyl ether is 318.16 g/mol.
Where can I buy Tomaymycin methyl ether?
You can request a quote for Tomaymycin methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tomaymycin methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Tomaymycin methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.