1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
TL;DR: 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one (CAS 72435-85-9) is a chemical compound with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-dihydroxy-6-methoxy-3-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-, 2,9-Dihydroxy-11-methoxy-8-methyl-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 4,8-dihydroxy-6-methoxy-3-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
| Molecular Formula | C14H18N2O4 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.12665 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 72435-85-9 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)N3CC(CC3C(N2)OC)O)O |
| InChIKey | STMNPXSOIJUABF-UHFFFAOYSA-N |
Product Overview
1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one (CAS 72435-85-9), with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol. IUPAC: 4,8-dihydroxy-6-methoxy-3-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
Property Insights of 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one. Following Lipinski's Rule of Five, 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one 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 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
The CAS number of 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one is 72435-85-9.
What is the molecular formula of 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
The molecular formula of 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one is C14H18N2O4.
What is the molecular weight of 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
The molecular weight of 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one is 278.13 g/mol.
Where can I buy 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
You can request a quote for 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.