MixCom6_000253
TL;DR: MixCom6_000253 (CAS 452052-28-7) is a chemical compound with molecular formula C23H19ClN2O4 and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[9-chloro-2-(5-methylfuran-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Also Known As: MixCom6_000253, ChemDiv1_016093, F1589-0622, methyl 4-(9-chloro-2-(5-methylfuran-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate, methyl 4-[12-chloro-4-(5-methylfuran-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraen-7-yl]benzoate
| Molecular Formula | C23H19ClN2O4 |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 5.27032 |
| Topological Polar Surface Area | 64.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.10333 |
| Heavy Atoms | 30 |
| Complexity | 1152.2648 |
Chemical Identifiers
| CAS Number | 452052-28-7 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC3C5=CC=C(C=C5)C(=O)OC |
Product Overview
MixCom6_000253 (CAS 452052-28-7), with molecular formula C23H19ClN2O4 and molecular weight 422.10 g/mol. IUPAC: methyl 4-[9-chloro-2-(5-methylfuran-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate.
Chemical Property Profile of MixCom6_000253
Property Insights of MixCom6_000253
The XLogP value of 5.27032 indicates that MixCom6_000253 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.27 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_000253. Following Lipinski's Rule of Five, MixCom6_000253 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_000253?
The CAS number of MixCom6_000253 is 452052-28-7.
What is the molecular formula of MixCom6_000253?
The molecular formula of MixCom6_000253 is C23H19ClN2O4.
What is the molecular weight of MixCom6_000253?
The molecular weight of MixCom6_000253 is 422.10 g/mol.
Where can I buy MixCom6_000253?
You can request a quote for MixCom6_000253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_000253?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_000253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.