1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans-
TL;DR: 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans- (CAS 124675-89-4) is a chemical compound with molecular formula C15H20ClNO2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate;hydrochloride
Also Known As: Pyrrolizidinyl-trans-3,8H-3-methylbenzoate hydrochloride, 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans-, trans-Hexahydro-1H-pyrrolizine-3-methanol benzoate (ester) hydrochloride, [(3S,7aS)-Hexahydro-1H-pyrrolizin-3-yl]methyl benzoate--hydrogen chloride (1/1), [(3S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate hydrochloride
| Molecular Formula | C15H20ClNO2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 2.892 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.11826 |
| Heavy Atoms | 19 |
| Complexity | 423.41357 |
Chemical Identifiers
| CAS Number | 124675-89-4 |
|---|---|
| SMILES | C1C[C@H]2CC[C@H](N2C1)COC(=O)C3=CC=CC=C3.Cl |
Product Overview
1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans- (CAS 124675-89-4), with molecular formula C15H20ClNO2 and molecular weight 281.12 g/mol. IUPAC: [(3S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate;hydrochloride.
Chemical Property Profile of 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans-
Property Insights of 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans-
The XLogP value of 2.892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans-. With a topological polar surface area (TPSA) of 29.54 Ų, 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans- has 0 hydrogen bond donor(s) and 3 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 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans-?
The CAS number of 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans- is 124675-89-4.
What is the molecular formula of 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans-?
The molecular formula of 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans- is C15H20ClNO2.
What is the molecular weight of 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans-?
The molecular weight of 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans- is 281.12 g/mol.
Where can I buy 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans-?
You can request a quote for 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrolizine-3-methanol, hexahydro-, benzoate (ester), hydrochloride, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.