MCL101
TL;DR: MCL101 (CAS 259192-07-9) is a chemical compound with molecular formula C29H37NO4 and molecular weight 463.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(2S)-2-hydroxy-2-phenylacetic acid
Also Known As: MCL101, Morphinan-3-ol, 17-(cyclobutylmethyl)-, (alphaS)-alpha-hydroxybenzeneacetate (1:1), Morphinan-3-ol, 17-(cyclobutylmethyl)-, (alphaS)-alpha-hydroxybenzeneacetate (salt), Benzeneacetic acid, alpha-hydroxy-, (alphaS)-, compd. with 17-(cyclobutylmethyl)morphinan-3-ol (1:1), BENZENEACETIC ACID, .ALPHA.-HYDROXY-, (.ALPHA.S)-, COMPD. WITH 17-(CYCLOBUTYLMETHYL)MORPHINAN-3-OL (1:1)
| Molecular Formula | C29H37NO4 |
|---|---|
| Molecular Weight | 463.27 g/mol |
| LogP | 5.0553 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.27225 |
| Heavy Atoms | 34 |
| Complexity | 1004.4451 |
Chemical Identifiers
| CAS Number | 259192-07-9 |
|---|---|
| SMILES | C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CC5CCC5.C1=CC=C(C=C1)[C@@H](C(=O)O)O |
Product Overview
MCL101 (CAS 259192-07-9), with molecular formula C29H37NO4 and molecular weight 463.27 g/mol. IUPAC: (1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(2S)-2-hydroxy-2-phenylacetic acid.
Chemical Property Profile of MCL101
Property Insights of MCL101
The XLogP value of 5.0553 indicates that MCL101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for MCL101. Following Lipinski's Rule of Five, MCL101 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MCL101?
The CAS number of MCL101 is 259192-07-9.
What is the molecular formula of MCL101?
The molecular formula of MCL101 is C29H37NO4.
What is the molecular weight of MCL101?
The molecular weight of MCL101 is 463.27 g/mol.
Where can I buy MCL101?
You can request a quote for MCL101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MCL101?
Yes, KEHONG BIO provides custom synthesis services for MCL101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.