BAS 00458993
TL;DR: BAS 00458993 (CAS 331676-77-8) is a chemical compound with molecular formula C21H29NO2 and molecular weight 327.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl N-phenylcarbamate
Also Known As: BAS 00458993, (3,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl phenylcarbamate, (3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl N-phenylcarbamate
| Molecular Formula | C21H29NO2 |
|---|---|
| Molecular Weight | 327.22 g/mol |
| LogP | 5.7879 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.21982 |
| Heavy Atoms | 24 |
| Complexity | 617.9857 |
Chemical Identifiers
| CAS Number | 331676-77-8 |
|---|---|
| SMILES | CC1CC2=C(CC1COC(=O)NC3=CC=CC=C3)C(CCC2)(C)C |
Product Overview
BAS 00458993 (CAS 331676-77-8), with molecular formula C21H29NO2 and molecular weight 327.22 g/mol. IUPAC: (3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl N-phenylcarbamate.
Chemical Property Profile of BAS 00458993
Property Insights of BAS 00458993
The XLogP value of 5.7879 indicates that BAS 00458993 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, BAS 00458993 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458993 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00458993?
The CAS number of BAS 00458993 is 331676-77-8.
What is the molecular formula of BAS 00458993?
The molecular formula of BAS 00458993 is C21H29NO2.
What is the molecular weight of BAS 00458993?
The molecular weight of BAS 00458993 is 327.22 g/mol.
Where can I buy BAS 00458993?
You can request a quote for BAS 00458993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458993?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.