5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one
TL;DR: 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one (CAS 119707-44-7) is a chemical compound with molecular formula C18H14ClN3O4 and molecular weight 371.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,6-dimethyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one
Also Known As: 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one, (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one, 6,11-dihydro-2-chloro-1,6-dimethyl-7-nitro-, 2-chloro-1,6-dimethyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one, 2-Chloro-1,6-dimethyl-7-nitro-6,11-dihydro[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(5aH)-one, RefChem:203770
| Molecular Formula | C18H14ClN3O4 |
|---|---|
| Molecular Weight | 371.07 g/mol |
| LogP | 3.90362 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 371.0673 |
| Heavy Atoms | 26 |
| Complexity | 1002.171 |
Chemical Identifiers
| CAS Number | 119707-44-7 |
|---|---|
| SMILES | CC1=C(C=CC2=C1C(=O)C3=CNC4=C(C(=CC=C4)[N+](=O)[O-])N(C3O2)C)Cl |
Product Overview
5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one (CAS 119707-44-7), with molecular formula C18H14ClN3O4 and molecular weight 371.07 g/mol. IUPAC: 2-chloro-1,6-dimethyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one.
Chemical Property Profile of 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one
Property Insights of 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one
The XLogP value of 3.90362 indicates that 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one. Following Lipinski's Rule of Five, 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one has 1 hydrogen bond donor(s) and 6 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 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one?
The CAS number of 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one is 119707-44-7.
What is the molecular formula of 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one?
The molecular formula of 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one is C18H14ClN3O4.
What is the molecular weight of 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one?
The molecular weight of 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one is 371.07 g/mol.
Where can I buy 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one?
You can request a quote for 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5a,6-Dihydro-2-chloro-1,6-dimethyl-7-nitro-benzopyrano(2,3-b)(1,5)benzodiazepin-13(11H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.