11-Demethyltomaymycin
TL;DR: 11-Demethyltomaymycin (CAS 55511-85-8) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,6aS,8E)-8-ethylidene-3,6-dihydroxy-2-methoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: 11-Demethyltomaymycin, (6R,6aS,8E)-8-ethylidene-3,6-dihydroxy-2-methoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 2-ethylidene-1,2,3,10,11,11a-hexahydro-8,11-dihydroxy-7-methoxy-, (11R,11aS)-2-Ethylidene-7-methoxy-8,11-dihydroxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, (6R,6aS,8E)-8-ethylidene-3,6-dihydroxy-2-methoxy-6,6a,7,9-tetrahydro-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-11-one
| Molecular Formula | C15H18N2O4 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 1.3055 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.12665 |
| Heavy Atoms | 21 |
| Complexity | 626.3448 |
Chemical Identifiers
| CAS Number | 55511-85-8 |
|---|---|
| SMILES | C/C=C/1\C[C@H]2[C@H](NC3=CC(=C(C=C3C(=O)N2C1)OC)O)O |
Product Overview
11-Demethyltomaymycin (CAS 55511-85-8), with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol. IUPAC: (6R,6aS,8E)-8-ethylidene-3,6-dihydroxy-2-methoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of 11-Demethyltomaymycin
Property Insights of 11-Demethyltomaymycin
The XLogP value of 1.3055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Demethyltomaymycin. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Demethyltomaymycin. Following Lipinski's Rule of Five, 11-Demethyltomaymycin has 3 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 11-Demethyltomaymycin?
The CAS number of 11-Demethyltomaymycin is 55511-85-8.
What is the molecular formula of 11-Demethyltomaymycin?
The molecular formula of 11-Demethyltomaymycin is C15H18N2O4.
What is the molecular weight of 11-Demethyltomaymycin?
The molecular weight of 11-Demethyltomaymycin is 290.13 g/mol.
Where can I buy 11-Demethyltomaymycin?
You can request a quote for 11-Demethyltomaymycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Demethyltomaymycin?
Yes, KEHONG BIO provides custom synthesis services for 11-Demethyltomaymycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.