BAS 00029748
TL;DR: BAS 00029748 (CAS 112880-88-3) is a chemical compound with molecular formula C13H23N2O2PS2 and molecular weight 334.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-di(propan-2-yloxy)phosphinothioylsulfanyl-2-(1-methylpyrrolidin-2-ylidene)acetonitrile
Also Known As: BAS 00029748, S-[(E)-cyano(1-methylpyrrolidin-2-ylidene)methyl] O,O-dipropan-2-yl phosphorodithioate, Phosphorodithioic acid, S-[cyano(1-methyl-2-pyrrolidinylidene)methyl] O,O-bis(1-methylethyl) ester, (E)-, (2E)-2-di(propan-2-yloxy)phosphinothioylsulfanyl-2-(1-methylpyrrolidin-2-ylidene)acetonitrile, Dithiophosphoric acid, S-[cyano-(1-methylpyrrolidin-2-ylidene)methyl] ester, o,o'-diisopropyl ester
| Molecular Formula | C13H23N2O2PS2 |
|---|---|
| Molecular Weight | 334.09 g/mol |
| LogP | 4.25488 |
| Topological Polar Surface Area | 45.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.09387 |
| Heavy Atoms | 20 |
| Complexity | 443.77774 |
Chemical Identifiers
| CAS Number | 112880-88-3 |
|---|---|
| SMILES | CC(C)OP(=S)(OC(C)C)S/C(=C/1\CCCN1C)/C#N |
Product Overview
BAS 00029748 (CAS 112880-88-3), with molecular formula C13H23N2O2PS2 and molecular weight 334.09 g/mol. IUPAC: (2E)-2-di(propan-2-yloxy)phosphinothioylsulfanyl-2-(1-methylpyrrolidin-2-ylidene)acetonitrile.
Chemical Property Profile of BAS 00029748
Property Insights of BAS 00029748
The XLogP value of 4.25488 indicates that BAS 00029748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.49 Ų, BAS 00029748 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00029748 has 0 hydrogen bond donor(s) and 6 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 BAS 00029748?
The CAS number of BAS 00029748 is 112880-88-3.
What is the molecular formula of BAS 00029748?
The molecular formula of BAS 00029748 is C13H23N2O2PS2.
What is the molecular weight of BAS 00029748?
The molecular weight of BAS 00029748 is 334.09 g/mol.
Where can I buy BAS 00029748?
You can request a quote for BAS 00029748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00029748?
Yes, KEHONG BIO provides custom synthesis services for BAS 00029748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.