BAS 00288678
TL;DR: BAS 00288678 (CAS 330180-74-0) is a chemical compound with molecular formula C16H19N7O6S2 and molecular weight 469.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetyl]amino]-3-methylthiourea
Also Known As: BAS 00288678, AE-848/31943053, 1-[[2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetyl]amino]-3-methylthiourea, 2-({[1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]sulfanyl}acetyl)-N-methylhydrazinecarbothioamide, 2-(2-((1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetyl)-N-methylhydrazinecarbothioamide
| Molecular Formula | C16H19N7O6S2 |
|---|---|
| Molecular Weight | 469.08 g/mol |
| LogP | 1.28202 |
| Topological Polar Surface Area | 166.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.08383 |
| Heavy Atoms | 31 |
| Complexity | 1026.1263 |
Chemical Identifiers
| CAS Number | 330180-74-0 |
|---|---|
| SMILES | CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC(=O)NNC(=S)NC)[N+](=O)[O-] |
Product Overview
BAS 00288678 (CAS 330180-74-0), with molecular formula C16H19N7O6S2 and molecular weight 469.08 g/mol. IUPAC: 1-[[2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetyl]amino]-3-methylthiourea.
Chemical Property Profile of BAS 00288678
Property Insights of BAS 00288678
The XLogP value of 1.28202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00288678. The TPSA of 166.49 Ų indicates high polarity, suggesting BAS 00288678 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00288678 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00288678?
The CAS number of BAS 00288678 is 330180-74-0.
What is the molecular formula of BAS 00288678?
The molecular formula of BAS 00288678 is C16H19N7O6S2.
What is the molecular weight of BAS 00288678?
The molecular weight of BAS 00288678 is 469.08 g/mol.
Where can I buy BAS 00288678?
You can request a quote for BAS 00288678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288678?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.