RefChem:1049651
TL;DR: RefChem:1049651 (CAS 16908-80-8) is a chemical compound with molecular formula C14H15N3O6 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-3,8-dihydroxy-7-methyl-5,6-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate
Also Known As: 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,3-dihydro-2-amino-1,7-dihydroxy-9-(hydroxymethyl)-6-methyl-, 9-carbamate, (2-Amino-1,5-dihydroxy-6-methyl-7,8-dioxo-2,3,7,8-tetrahydro-1H-pyrrolo(1,2-a)indol-9-yl)methyl hydrogen carbonimidate, (2-Amino-1,5-dihydroxy-6-methyl-7,8-dioxo-2,3,7,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl)methyl hydrogen carbonimidate, (2-amino-3,8-dihydroxy-7-methyl-5,6-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate, RefChem:1049651
| Molecular Formula | C14H15N3O6 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0961 |
| Heavy Atoms | 23 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 16908-80-8 |
|---|---|
| SMILES | CC1=C(C2=C(C(=C3N2CC(C3O)N)COC(=O)N)C(=O)C1=O)O |
| InChIKey | BAGCCCLTRUIOKH-UHFFFAOYSA-N |
Product Overview
RefChem:1049651 (CAS 16908-80-8), with molecular formula C14H15N3O6 and molecular weight 321.10 g/mol. IUPAC: (2-amino-3,8-dihydroxy-7-methyl-5,6-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate.
Chemical Property Profile of RefChem:1049651
Property Insights of RefChem:1049651
The XLogP value of -2.9 indicates that RefChem:1049651 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting RefChem:1049651 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1049651 has 4 hydrogen bond donor(s) and 7 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 RefChem:1049651?
The CAS number of RefChem:1049651 is 16908-80-8.
What is the molecular formula of RefChem:1049651?
The molecular formula of RefChem:1049651 is C14H15N3O6.
What is the molecular weight of RefChem:1049651?
The molecular weight of RefChem:1049651 is 321.10 g/mol.
Where can I buy RefChem:1049651?
You can request a quote for RefChem:1049651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049651?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.