BAS 00334661
TL;DR: BAS 00334661 (CAS 172881-97-9) is a chemical compound with molecular formula C25H32N3O4PS and molecular weight 501.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-diphenoxyphosphoryl-1,5-dimethyl-9-oxo-N-propyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
Also Known As: BAS 00334661, Phosphonic acid, (1,5-dimethyl-9-oxo-7-((propylamino)thioxomethyl)-3,7-diazabicyclo(3.3.1)non-3-yl)-, diphenyl ester, 7-Diphenoxyphosphoryl-1,5-dimethyl-9-oxo-N-propyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide, 3-diphenoxyphosphoryl-1,5-dimethyl-9-oxo-N-propyl-3,7-diazabicyclo[3.3.1]nonane-7-carbothioamide, 7-(Diphenoxyphosphoryl)-1,5-dimethyl-9-oxo-N-propyl-3,7-diazabicyclo[3.3.1]nonane-3-carboximidothioic acid
| Molecular Formula | C25H32N3O4PS |
|---|---|
| Molecular Weight | 501.19 g/mol |
| LogP | 4.7499 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.18512 |
| Heavy Atoms | 34 |
| Complexity | 1016.58307 |
Chemical Identifiers
| CAS Number | 172881-97-9 |
|---|---|
| SMILES | CCCNC(=S)N1CC2(CN(CC(C1)(C2=O)C)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C |
Product Overview
BAS 00334661 (CAS 172881-97-9), with molecular formula C25H32N3O4PS and molecular weight 501.19 g/mol. IUPAC: 7-diphenoxyphosphoryl-1,5-dimethyl-9-oxo-N-propyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide.
Chemical Property Profile of BAS 00334661
Property Insights of BAS 00334661
The XLogP value of 4.7499 indicates that BAS 00334661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00334661. Following Lipinski's Rule of Five, BAS 00334661 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00334661?
The CAS number of BAS 00334661 is 172881-97-9.
What is the molecular formula of BAS 00334661?
The molecular formula of BAS 00334661 is C25H32N3O4PS.
What is the molecular weight of BAS 00334661?
The molecular weight of BAS 00334661 is 501.19 g/mol.
Where can I buy BAS 00334661?
You can request a quote for BAS 00334661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00334661?
Yes, KEHONG BIO provides custom synthesis services for BAS 00334661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.