RefChem:1049260
TL;DR: RefChem:1049260 (CAS 13164-68-6) is a chemical compound with molecular formula C16H19N3O6 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-6-methoxy-7-methyl-2-(methylamino)-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
Also Known As: cis-1-Hydroxy-7-methoxy-2-methylaminomitosene, [1-Hydroxy-7-methoxy-6-methyl-2-(methylamino)-5,8-dioxo-2,3,, 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,3-dihydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-2-(methylamino)-, 9-carbamate, Carbamic acid [2,3,5,8-tetrahydro-1-hydroxy-7-methoxy-6-methyl-2-(methylamino)-5,8-dioxo-1H-pyrrolo[1,2-a]indol-9-yl]methyl ester, (1-Hydroxy-7-methoxy-6-methyl-2-(methylamino)-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo(1,2-a)indol-9-yl)methyl hydrogen carbonimidate
| Molecular Formula | C16H19N3O6 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.12738 |
| Heavy Atoms | 25 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 13164-68-6 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)O)NC)OC |
| InChIKey | KEDRKYOEEMEGGD-UHFFFAOYSA-N |
Product Overview
RefChem:1049260 (CAS 13164-68-6), with molecular formula C16H19N3O6 and molecular weight 349.13 g/mol. IUPAC: [3-hydroxy-6-methoxy-7-methyl-2-(methylamino)-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate.
Chemical Property Profile of RefChem:1049260
Property Insights of RefChem:1049260
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1049260. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1049260. Following Lipinski's Rule of Five, RefChem:1049260 has 3 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:1049260?
The CAS number of RefChem:1049260 is 13164-68-6.
What is the molecular formula of RefChem:1049260?
The molecular formula of RefChem:1049260 is C16H19N3O6.
What is the molecular weight of RefChem:1049260?
The molecular weight of RefChem:1049260 is 349.13 g/mol.
Where can I buy RefChem:1049260?
You can request a quote for RefChem:1049260 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049260?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049260 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.