RefChem:227437
TL;DR: RefChem:227437 (CAS 29364-12-3) is a chemical compound with molecular formula C18H24Cl2N2O4 and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,2S,3S,5R)-3-[(2-chloro-6-methylphenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Also Known As: 1-alpha-H,5-alpha-H-Tropane-2-alpha-carboxylic acid, 3-beta-hydroxy-, methyl ester, 2-chloro-6-methylcarbanilate (ester), monohydrochloride, Methyl (1S,2S,3S,5R)-3-{[(2-chloro-6-methylphenyl)imino](hydroxy)methoxy}-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate--hydrogen chloride (1/1), Methyl 3-{[(2-chloro-6-methylphenyl)imino](hydroxy)methoxy}-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate--hydrogen chloride (1/1), RefChem:227437
| Molecular Formula | C18H24Cl2N2O4 |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 3.64302 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1113 |
| Heavy Atoms | 26 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 29364-12-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)O[C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)OC)N3C.Cl |
| InChIKey | YHCRYQCCPRYVNJ-QWMATZHOSA-N |
Product Overview
RefChem:227437 (CAS 29364-12-3), with molecular formula C18H24Cl2N2O4 and molecular weight 402.11 g/mol. IUPAC: methyl (1S,2S,3S,5R)-3-[(2-chloro-6-methylphenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:227437
Property Insights of RefChem:227437
The XLogP value of 3.64302 indicates that RefChem:227437 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:227437. Following Lipinski's Rule of Five, RefChem:227437 has 2 hydrogen bond donor(s) and 5 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 RefChem:227437?
The CAS number of RefChem:227437 is 29364-12-3.
What is the molecular formula of RefChem:227437?
The molecular formula of RefChem:227437 is C18H24Cl2N2O4.
What is the molecular weight of RefChem:227437?
The molecular weight of RefChem:227437 is 402.11 g/mol.
Where can I buy RefChem:227437?
You can request a quote for RefChem:227437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227437?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.