BAS 00835127
TL;DR: BAS 00835127 (CAS 485389-42-2) is a chemical compound with molecular formula C40H46BrNO4 and molecular weight 683.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentadecyl 3-(1-bromo-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 00835127, pentadecyl 3-(1-bromo-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), pentadecyl 3-(1-bromo-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, pentadecyl 3-(1-bromo-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 | C40H46BrNO4 |
|---|---|
| Molecular Weight | 683.26 g/mol |
| LogP | 9.8378 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 683.26105 |
| Heavy Atoms | 46 |
| Complexity | 1518.5497 |
Chemical Identifiers
| CAS Number | 485389-42-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br |
Product Overview
BAS 00835127 (CAS 485389-42-2), with molecular formula C40H46BrNO4 and molecular weight 683.26 g/mol. IUPAC: pentadecyl 3-(1-bromo-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 00835127
Property Insights of BAS 00835127
The XLogP value of 9.8378 indicates that BAS 00835127 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 00835127. Following Lipinski's Rule of Five, BAS 00835127 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 00835127?
The CAS number of BAS 00835127 is 485389-42-2.
What is the molecular formula of BAS 00835127?
The molecular formula of BAS 00835127 is C40H46BrNO4.
What is the molecular weight of BAS 00835127?
The molecular weight of BAS 00835127 is 683.26 g/mol.
Where can I buy BAS 00835127?
You can request a quote for BAS 00835127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00835127?
Yes, KEHONG BIO provides custom synthesis services for BAS 00835127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.