BAS 00669200
TL;DR: BAS 00669200 (CAS 311784-47-1) is a chemical compound with molecular formula C29H33ClN6O4 and molecular weight 564.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-[3-(diethylamino)phenoxy]-5-nitrophenyl]adamantane-1-carboxamide
Also Known As: BAS 00669200, A1529/0066466, 3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-N-{3-[3-(DIETHYLAMINO)PHENOXY]-5-NITROPHENYL}ADAMANTANE-1-CARBOXAMIDE, 3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-[3-(diethylamino)phenoxy]-5-nitrophenyl]adamantane-1-carboxamide, 3-(3-Chloro-1H-1,2,4-triazol-1-yl)-N-[3-[3-(diethylamino)phenoxy]-5-nitrophenyl]tricyclo[3.3.1.13,7]decane-1-carboxamide
| Molecular Formula | C29H33ClN6O4 |
|---|---|
| Molecular Weight | 564.23 g/mol |
| LogP | 6.4124 |
| Topological Polar Surface Area | 115.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 564.22516 |
| Heavy Atoms | 40 |
| Complexity | 1439.7808 |
Chemical Identifiers
| CAS Number | 311784-47-1 |
|---|---|
| SMILES | CCN(CC)C1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Cl |
Product Overview
BAS 00669200 (CAS 311784-47-1), with molecular formula C29H33ClN6O4 and molecular weight 564.23 g/mol. IUPAC: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-[3-(diethylamino)phenoxy]-5-nitrophenyl]adamantane-1-carboxamide.
Chemical Property Profile of BAS 00669200
Property Insights of BAS 00669200
The XLogP value of 6.4124 indicates that BAS 00669200 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00669200. Following Lipinski's Rule of Five, BAS 00669200 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00669200?
The CAS number of BAS 00669200 is 311784-47-1.
What is the molecular formula of BAS 00669200?
The molecular formula of BAS 00669200 is C29H33ClN6O4.
What is the molecular weight of BAS 00669200?
The molecular weight of BAS 00669200 is 564.23 g/mol.
Where can I buy BAS 00669200?
You can request a quote for BAS 00669200 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00669200?
Yes, KEHONG BIO provides custom synthesis services for BAS 00669200 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.