BAS 00127096
TL;DR: BAS 00127096 (CAS 117536-13-7) is a chemical compound with molecular formula C20H19Cl2NO and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)-phenylmethanone
Also Known As: BAS 00127096, (1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)-phenylmethanone, (1,1-dichloro-2,2,7b-trimethyl-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl)(phenyl)methanone, (1,1-dichloro-2,2,7b-trimethyl-1a,2-dihydro-1H-cyclopropa[c]quinolin-3(7bH)-yl)(phenyl)methanone, 1,1-dichloro-2,2,7b-trimethyl(1,2,3,1a,7b-pentahydrocyclopropa[2,1-c]quinolin- 3-yl) phenyl ketone
| Molecular Formula | C20H19Cl2NO |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 5.187 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 359.08438 |
| Heavy Atoms | 24 |
| Complexity | 830.5423 |
Chemical Identifiers
| CAS Number | 117536-13-7 |
|---|---|
| SMILES | CC1(C2C(C2(Cl)Cl)(C3=CC=CC=C3N1C(=O)C4=CC=CC=C4)C)C |
Product Overview
BAS 00127096 (CAS 117536-13-7), with molecular formula C20H19Cl2NO and molecular weight 359.08 g/mol. IUPAC: (1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)-phenylmethanone.
Chemical Property Profile of BAS 00127096
Property Insights of BAS 00127096
The XLogP value of 5.187 indicates that BAS 00127096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, BAS 00127096 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00127096 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00127096?
The CAS number of BAS 00127096 is 117536-13-7.
What is the molecular formula of BAS 00127096?
The molecular formula of BAS 00127096 is C20H19Cl2NO.
What is the molecular weight of BAS 00127096?
The molecular weight of BAS 00127096 is 359.08 g/mol.
Where can I buy BAS 00127096?
You can request a quote for BAS 00127096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00127096?
Yes, KEHONG BIO provides custom synthesis services for BAS 00127096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.