BAS 00757874
TL;DR: BAS 00757874 (CAS 497936-82-0) is a chemical compound with molecular formula C33H31Br2NO4 and molecular weight 663.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
Also Known As: BAS 00757874, octyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate, octyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name), octyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
| Molecular Formula | C33H31Br2NO4 |
|---|---|
| Molecular Weight | 663.06 g/mol |
| LogP | 7.6137 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 663.06195 |
| Heavy Atoms | 40 |
| Complexity | 1379.5256 |
Chemical Identifiers
| CAS Number | 497936-82-0 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br |
Product Overview
BAS 00757874 (CAS 497936-82-0), with molecular formula C33H31Br2NO4 and molecular weight 663.06 g/mol. IUPAC: octyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate.
Chemical Property Profile of BAS 00757874
Property Insights of BAS 00757874
The XLogP value of 7.6137 indicates that BAS 00757874 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00757874. Following Lipinski's Rule of Five, BAS 00757874 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00757874?
The CAS number of BAS 00757874 is 497936-82-0.
What is the molecular formula of BAS 00757874?
The molecular formula of BAS 00757874 is C33H31Br2NO4.
What is the molecular weight of BAS 00757874?
The molecular weight of BAS 00757874 is 663.06 g/mol.
Where can I buy BAS 00757874?
You can request a quote for BAS 00757874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00757874?
Yes, KEHONG BIO provides custom synthesis services for BAS 00757874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.