MB 5
TL;DR: MB 5 (CAS 42282-42-8) is a chemical compound with molecular formula C21H26Cl2N4O3S and molecular weight 484.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[3-(4-chlorophenyl)-3-oxopropyl]sulfanyl-5-hydroxypent-2-en-2-yl]formamide;hydrochloride
Also Known As: MB 5, S-(beta-p-Chloropropiophenone)-thiamine hydrochloride, N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[3-(4-chlorophenyl)-3-oxopropyl]sulfanyl-5-hydroxypent-2-en-2-yl]formamide;hydrochloride, N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[3-(4-chlorophenyl)-3-oxopropyl]sulfanyl-5-hydroxypent-2-en-2-yl]formamide hydrochloride
| Molecular Formula | C21H26Cl2N4O3S |
|---|---|
| Molecular Weight | 484.11 g/mol |
| LogP | 4.02092 |
| Topological Polar Surface Area | 109.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 484.11026 |
| Heavy Atoms | 31 |
| Complexity | 923.3409 |
Chemical Identifiers
| CAS Number | 42282-42-8 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCO)\SCCC(=O)C2=CC=C(C=C2)Cl)/C.Cl |
Product Overview
MB 5 (CAS 42282-42-8), with molecular formula C21H26Cl2N4O3S and molecular weight 484.11 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[3-(4-chlorophenyl)-3-oxopropyl]sulfanyl-5-hydroxypent-2-en-2-yl]formamide;hydrochloride.
Chemical Property Profile of MB 5
Property Insights of MB 5
The XLogP value of 4.02092 indicates that MB 5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.41 Ų falls within the moderate polarity range, balancing permeability and solubility for MB 5. Following Lipinski's Rule of Five, MB 5 has 2 hydrogen bond donor(s) and 7 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 MB 5?
The CAS number of MB 5 is 42282-42-8.
What is the molecular formula of MB 5?
The molecular formula of MB 5 is C21H26Cl2N4O3S.
What is the molecular weight of MB 5?
The molecular weight of MB 5 is 484.11 g/mol.
Where can I buy MB 5?
You can request a quote for MB 5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MB 5?
Yes, KEHONG BIO provides custom synthesis services for MB 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.