RefChem:320443
TL;DR: RefChem:320443 (CAS 18341-86-1) is a chemical compound with molecular formula C17H19ClN4O6 and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S)-11-amino-5-(2-chloroacetyl)-7-methoxy-12-methyl-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: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-1-(chloroacetyl)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester), [(8S,8aR)-6-Amino-1-(chloroacetyl)-8a-methoxy-5-methyl-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, [6-Amino-1-(chloroacetyl)-8a-methoxy-5-methyl-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, BRN 0903753, RefChem:320443
| Molecular Formula | C17H19ClN4O6 |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.0993 |
| Heavy Atoms | 28 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 18341-86-1 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4C(=O)CCl)N |
| InChIKey | DSHLJFBTEKGBSX-XESODVKRSA-N |
Product Overview
RefChem:320443 (CAS 18341-86-1), with molecular formula C17H19ClN4O6 and molecular weight 410.10 g/mol. IUPAC: [(7R,8S)-11-amino-5-(2-chloroacetyl)-7-methoxy-12-methyl-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:320443
Property Insights of RefChem:320443
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:320443. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:320443 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:320443 has 2 hydrogen bond donor(s) and 8 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:320443?
The CAS number of RefChem:320443 is 18341-86-1.
What is the molecular formula of RefChem:320443?
The molecular formula of RefChem:320443 is C17H19ClN4O6.
What is the molecular weight of RefChem:320443?
The molecular weight of RefChem:320443 is 410.10 g/mol.
Where can I buy RefChem:320443?
You can request a quote for RefChem:320443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:320443?
Yes, KEHONG BIO provides custom synthesis services for RefChem:320443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.