Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride
TL;DR: Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride (CAS 70547-18-1) is a chemical compound with molecular formula C27H25Cl2NO2S and molecular weight 497.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)methyl]benzoate;hydrochloride
Also Known As: Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride, methyl 2-[(8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)methyl]benzoate hydrochloride, Methyl 2-[(8-chloro-3-methyl-4-phenyl-3,4-dihydro[1]benzothieno[3,2-c]pyridin-2(1H)-yl)methyl]benzoate--hydrogen chloride (1/1), RefChem:326696
| Molecular Formula | C27H25Cl2NO2S |
|---|---|
| Molecular Weight | 497.10 g/mol |
| LogP | 7.2993 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 497.0983 |
| Heavy Atoms | 33 |
| Complexity | 1288.0309 |
Chemical Identifiers
| CAS Number | 70547-18-1 |
|---|---|
| SMILES | CC1C(C2=C(CN1CC3=CC=CC=C3C(=O)OC)C4=C(S2)C=CC(=C4)Cl)C5=CC=CC=C5.Cl |
Product Overview
Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride (CAS 70547-18-1), with molecular formula C27H25Cl2NO2S and molecular weight 497.10 g/mol. IUPAC: methyl 2-[(8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)methyl]benzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride
Property Insights of Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride
The XLogP value of 7.2993 indicates that Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride has 0 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 Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride?
The CAS number of Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride is 70547-18-1.
What is the molecular formula of Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride?
The molecular formula of Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride is C27H25Cl2NO2S.
What is the molecular weight of Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride?
The molecular weight of Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride is 497.10 g/mol.
Where can I buy Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride?
You can request a quote for Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, methyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.