A2109/0088618
TL;DR: A2109/0088618 (CAS 313380-77-7) is a chemical compound with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxylic acid
Also Known As: A2109/0088618, (2Z)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxylic acid, (Z)-3-(4-methoxyphenethyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxylic acid, 3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxylic acid, 3-[2-(4-METHOXYPHENYL)ETHYL]-4-OXO-2-(PHENYLIMINO)-1,3-THIAZINANE-6-CARBOXYLIC ACID
| Molecular Formula | C20H20N2O4S |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 3.3441 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.11438 |
| Heavy Atoms | 27 |
| Complexity | 836.82 |
Chemical Identifiers
| CAS Number | 313380-77-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=CC=C3)C(=O)O |
Product Overview
A2109/0088618 (CAS 313380-77-7), with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol. IUPAC: 3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of A2109/0088618
Property Insights of A2109/0088618
The XLogP value of 3.3441 indicates that A2109/0088618 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A2109/0088618. Following Lipinski's Rule of Five, A2109/0088618 has 1 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 A2109/0088618?
The CAS number of A2109/0088618 is 313380-77-7.
What is the molecular formula of A2109/0088618?
The molecular formula of A2109/0088618 is C20H20N2O4S.
What is the molecular weight of A2109/0088618?
The molecular weight of A2109/0088618 is 384.11 g/mol.
Where can I buy A2109/0088618?
You can request a quote for A2109/0088618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2109/0088618?
Yes, KEHONG BIO provides custom synthesis services for A2109/0088618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.