RefChem:320457
TL;DR: RefChem:320457 (CAS 37592-72-6) is a chemical compound with molecular formula C15H18N4O4 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-amino-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl carbamate
Also Known As: 4-(4-Chloro-phenylsulfanyl)-phenylamine, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a-alpha,8b-hexahydro-6-amino-1,5-dimethyl-8-(hydroxymethyl)-, carbamate (ester), (6-amino-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate, (6-Amino-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate, (6-Amino-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate
| Molecular Formula | C15H18N4O4 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.1328 |
| Heavy Atoms | 23 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 37592-72-6 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3C2COC(=O)N)N4C)N |
| InChIKey | BRJRDRMELJFMBS-UHFFFAOYSA-N |
Product Overview
RefChem:320457 (CAS 37592-72-6), with molecular formula C15H18N4O4 and molecular weight 318.13 g/mol. IUPAC: (11-amino-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl carbamate.
Chemical Property Profile of RefChem:320457
Property Insights of RefChem:320457
The XLogP value of -0.8 indicates that RefChem:320457 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:320457. Following Lipinski's Rule of Five, RefChem:320457 has 2 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:320457?
The CAS number of RefChem:320457 is 37592-72-6.
What is the molecular formula of RefChem:320457?
The molecular formula of RefChem:320457 is C15H18N4O4.
What is the molecular weight of RefChem:320457?
The molecular weight of RefChem:320457 is 318.13 g/mol.
Where can I buy RefChem:320457?
You can request a quote for RefChem:320457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:320457?
Yes, KEHONG BIO provides custom synthesis services for RefChem:320457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.