MB 3
TL;DR: MB 3 (CAS 42207-96-5) is a chemical compound with molecular formula C22H29ClN4O3S and molecular weight 464.16 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)-5-hydroxy-3-[3-(4-methylphenyl)-3-oxopropyl]sulfanylpent-2-en-2-yl]formamide;hydrochloride
Also Known As: MB 3, S-(beta-p-Methylpropiophenone)thiamine, N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-1-methyl-2-((3-(4-methylphenyl)-3-oxopropyl)thio)-1-butenyl)formamide, monohydrochloride, N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-[3-(4-methylphenyl)-3-oxopropyl]sulfanylpent-2-en-2-yl]formamide;hydrochloride, N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-[3-(4-methylphenyl)-3-oxopropyl]sulfanylpent-2-en-2-yl]formamide hydrochloride
| Molecular Formula | C22H29ClN4O3S |
|---|---|
| Molecular Weight | 464.16 g/mol |
| LogP | 3.67594 |
| Topological Polar Surface Area | 109.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 464.1649 |
| Heavy Atoms | 31 |
| Complexity | 919.47205 |
Chemical Identifiers
| CAS Number | 42207-96-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CCS/C(=C(/C)\N(CC2=CN=C(N=C2N)C)C=O)/CCO.Cl |
Product Overview
MB 3 (CAS 42207-96-5), with molecular formula C22H29ClN4O3S and molecular weight 464.16 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-[3-(4-methylphenyl)-3-oxopropyl]sulfanylpent-2-en-2-yl]formamide;hydrochloride.
Chemical Property Profile of MB 3
Property Insights of MB 3
The XLogP value of 3.67594 indicates that MB 3 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 3. Following Lipinski's Rule of Five, MB 3 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 3?
The CAS number of MB 3 is 42207-96-5.
What is the molecular formula of MB 3?
The molecular formula of MB 3 is C22H29ClN4O3S.
What is the molecular weight of MB 3?
The molecular weight of MB 3 is 464.16 g/mol.
Where can I buy MB 3?
You can request a quote for MB 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MB 3?
Yes, KEHONG BIO provides custom synthesis services for MB 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.