BAS 00380004
TL;DR: BAS 00380004 (CAS 331275-62-8) is a chemical compound with molecular formula C26H31N7O9S2 and molecular weight 649.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitrofluoren-9-ylidene]amino]urea
Also Known As: BAS 00380004, {[2,7-bis(azepane-1-sulfonyl)-4,5-dinitro-9H-fluoren-9-ylidene]amino}urea, F1345-0152, 2-(2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-9H-fluoren-9-ylidene)hydrazinecarboxamide, [[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitrofluoren-9-ylidene]amino]urea
| Molecular Formula | C26H31N7O9S2 |
|---|---|
| Molecular Weight | 649.16 g/mol |
| LogP | 3.0335 |
| Topological Polar Surface Area | 228.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 649.1625 |
| Heavy Atoms | 44 |
| Complexity | 1657.3468 |
Chemical Identifiers
| CAS Number | 331275-62-8 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C(=C2)[N+](=O)[O-])C4=C(C3=NNC(=O)N)C=C(C=C4[N+](=O)[O-])S(=O)(=O)N5CCCCCC5 |
Product Overview
BAS 00380004 (CAS 331275-62-8), with molecular formula C26H31N7O9S2 and molecular weight 649.16 g/mol. IUPAC: [[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitrofluoren-9-ylidene]amino]urea.
Chemical Property Profile of BAS 00380004
Property Insights of BAS 00380004
The XLogP value of 3.0335 indicates that BAS 00380004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 228.52 Ų indicates high polarity, suggesting BAS 00380004 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00380004 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00380004?
The CAS number of BAS 00380004 is 331275-62-8.
What is the molecular formula of BAS 00380004?
The molecular formula of BAS 00380004 is C26H31N7O9S2.
What is the molecular weight of BAS 00380004?
The molecular weight of BAS 00380004 is 649.16 g/mol.
Where can I buy BAS 00380004?
You can request a quote for BAS 00380004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00380004?
Yes, KEHONG BIO provides custom synthesis services for BAS 00380004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.