BAS 00116908
TL;DR: BAS 00116908 (CAS 32634-40-5) is a chemical compound with molecular formula C32H40N4O7S and molecular weight 624.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-ethoxycarbonyl-2-[3-(5-ethoxycarbonyl-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]propane-1-sulfonate
Also Known As: BAS 00116908, 5-CARBETHOXY-1-ETHYL-3-(3-SULFOPROPYL)-2-[3-(5-CARBETHOXY-1,, 1H-Benzimidazolium, 5-(ethoxycarbonyl)-2-[3-[5-(ethoxycarbonyl)-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(3-sulfopropyl)-, inner salt, 3-[6-ethoxycarbonyl-2-[3-(5-ethoxycarbonyl-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]propane-1-sulfonate
| Molecular Formula | C32H40N4O7S |
|---|---|
| Molecular Weight | 624.26 g/mol |
| LogP | 4.4584 |
| Topological Polar Surface Area | 125.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 624.2618 |
| Heavy Atoms | 44 |
| Complexity | 1708.8204 |
Chemical Identifiers
| CAS Number | 32634-40-5 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=CC=CC3=[N+](C4=C(N3CCCS(=O)(=O)[O-])C=C(C=C4)C(=O)OCC)CC)CC |
Product Overview
BAS 00116908 (CAS 32634-40-5), with molecular formula C32H40N4O7S and molecular weight 624.26 g/mol. IUPAC: 3-[6-ethoxycarbonyl-2-[3-(5-ethoxycarbonyl-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of BAS 00116908
Property Insights of BAS 00116908
The XLogP value of 4.4584 indicates that BAS 00116908 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00116908. Following Lipinski's Rule of Five, BAS 00116908 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00116908?
The CAS number of BAS 00116908 is 32634-40-5.
What is the molecular formula of BAS 00116908?
The molecular formula of BAS 00116908 is C32H40N4O7S.
What is the molecular weight of BAS 00116908?
The molecular weight of BAS 00116908 is 624.26 g/mol.
Where can I buy BAS 00116908?
You can request a quote for BAS 00116908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00116908?
Yes, KEHONG BIO provides custom synthesis services for BAS 00116908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.