C31H35BrN2O4
TL;DR: C31H35BrN2O4 (CAS 385420-96-2) is a chemical compound with molecular formula C31H35BrN2O4 and molecular weight 578.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-5-(3-methoxy-4-pentoxyphenyl)-2-(4-propan-2-yloxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: 9-bromo-2-(4-isopropoxyphenyl)-5-(3-methoxy-4-(pentyloxy)phenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine, 9-bromo-5-(3-methoxy-4-pentoxyphenyl)-2-(4-propan-2-yloxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine, 9-bromo-5-[3-methoxy-4-(pentyloxy)phenyl]-2-[4-(propan-2-yloxy)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
| Molecular Formula | C31H35BrN2O4 |
|---|---|
| Molecular Weight | 578.18 g/mol |
| LogP | 8.0562 |
| Topological Polar Surface Area | 52.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.17804 |
| Heavy Atoms | 38 |
| Complexity | 1291.537 |
Chemical Identifiers
| CAS Number | 385420-96-2 |
|---|---|
| SMILES | CCCCCOC1=C(C=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OC(C)C)C5=C(O2)C=CC(=C5)Br)OC |
Product Overview
C31H35BrN2O4 (CAS 385420-96-2), with molecular formula C31H35BrN2O4 and molecular weight 578.18 g/mol. IUPAC: 9-bromo-5-(3-methoxy-4-pentoxyphenyl)-2-(4-propan-2-yloxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of C31H35BrN2O4
Property Insights of C31H35BrN2O4
The XLogP value of 8.0562 indicates that C31H35BrN2O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.52 Ų, C31H35BrN2O4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H35BrN2O4 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 C31H35BrN2O4?
The CAS number of C31H35BrN2O4 is 385420-96-2.
What is the molecular formula of C31H35BrN2O4?
The molecular formula of C31H35BrN2O4 is C31H35BrN2O4.
What is the molecular weight of C31H35BrN2O4?
The molecular weight of C31H35BrN2O4 is 578.18 g/mol.
Where can I buy C31H35BrN2O4?
You can request a quote for C31H35BrN2O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H35BrN2O4?
Yes, KEHONG BIO provides custom synthesis services for C31H35BrN2O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.