M6a,b
TL;DR: M6a,b (CAS 186352-97-6) is a chemical compound with molecular formula C35H36ClNO4S and molecular weight 601.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,2-dihydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Also Known As: M6a,b, MONTELUKAST 1,2-DIOL, Montelukast 1, 2-Diol, (Mixture of Diastereomers), MONTELUKAST METABOLITE M6
| Molecular Formula | C35H36ClNO4S |
|---|---|
| Molecular Weight | 601.21 g/mol |
| LogP | 7.9204 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 601.2054 |
| Heavy Atoms | 42 |
| Complexity | 1597.2384 |
Chemical Identifiers
| CAS Number | 186352-97-6 |
|---|---|
| SMILES | CC(CO)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O |
Product Overview
M6a,b (CAS 186352-97-6), with molecular formula C35H36ClNO4S and molecular weight 601.21 g/mol. IUPAC: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,2-dihydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid.
Chemical Property Profile of M6a,b
Property Insights of M6a,b
The XLogP value of 7.9204 indicates that M6a,b is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for M6a,b. Following Lipinski's Rule of Five, M6a,b has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of M6a,b?
The CAS number of M6a,b is 186352-97-6.
What is the molecular formula of M6a,b?
The molecular formula of M6a,b is C35H36ClNO4S.
What is the molecular weight of M6a,b?
The molecular weight of M6a,b is 601.21 g/mol.
Where can I buy M6a,b?
You can request a quote for M6a,b directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for M6a,b?
Yes, KEHONG BIO provides custom synthesis services for M6a,b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.